 Entering Gaussian System, Link 0=g16
 Input=30_ibuprofen_conformer05_STD_wB97XD_def2SVPD.in
 Output=30_ibuprofen_conformer05_STD_wB97XD_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
            -H     0
            S    3   1.00
                 13.0107010              0.19682158D-01
                  1.9622572              0.13796524
                  0.44453796             0.47831935
            S    1   1.00
                  0.12194962             1.0000000
            P    1   1.00
                  0.8000000              1.0000000
            P    1   1.00
                  0.11704099050          1.0000000
            ****
            -He     0
            S    3   1.00
                 38.354936737            0.23814288905D-01
                  5.7689081479           0.15490906777
                  1.2399407035           0.46998096633
            S    1   1.00
                  0.29757815953          1.0000000
            P    1   1.00
                  1.0000000              1.0000000
            P    1   1.00
                  0.22039119441          1.0000000
            ****
            -Li     0
            S    5   1.00
                266.27785516             0.64920150325D-02
                 40.069783447            0.47747863215D-01
                  9.0559944389           0.20268796111
                  2.4503009051           0.48606574817
                  0.72209571855          0.43626977955
            S    1   1.00
                  0.52810884721D-01      1.0000000
            S    1   1.00
                  0.20960948798D-01      1.0000000
            P    2   1.00
                  1.4500000              0.2586000
                  0.3000000              1.0000000
            P    1   1.00
                  0.0820000              1.0000000
            P    1   1.00
                  0.26347662457D-01      1.0000000
            ****
            -Be     0
            S    5   1.00
                515.18616125             0.55615307983D-02
                 77.511037595            0.41190068062D-01
                 17.552481693            0.17913378108
                  4.8028940596           0.44736716455
                  1.4516214316           0.42009581920
            S    1   1.00
                  0.13281633620          1.0000000
            S    1   1.00
                  0.45837372213D-01      1.0000000
            P    3   1.00
                  3.6316917145          -0.29033998305D-01
                  0.71695694366         -0.16877854032
                  0.19541932860         -0.51403419628
            P    1   1.00
                  0.60515465890D-01      1.0000000
            P    1   1.00
                  0.30181880660D-01      1.0000000
            ****
            -B     0
            S    5   1.00
                839.31830086            -0.55929201074D-02
                126.26464843            -0.41565520771D-01
                 28.620600763           -0.18299816983
                  7.8793722710          -0.46540391866
                  2.4088857172          -0.44173884791
            S    1   1.00
                  0.25105109036          1.0000000
            S    1   1.00
                  0.83648866069D-01      1.0000000
            S    1   1.00
                  0.42351565332D-01      1.0000000
            P    3   1.00
                  6.0332223619          -0.35603672456D-01
                  1.2499157866          -0.19895775769
                  0.33871676350         -0.50850202618
            P    1   1.00
                  0.96415632351D-01      1.0000000
            D    1   1.00
                  0.5000000              1.0000000
            D    1   1.00
                  0.74392443101D-01      1.0000000
            ****
            -C     0
            S    5   1.00
               1238.4016938              0.54568832082D-02
                186.29004992             0.40638409211D-01
                 42.251176346            0.18025593888
                 11.676557932            0.46315121755
                  3.5930506482           0.44087173314
            S    1   1.00
                  0.40245147363          1.0000000
            S    1   1.00
                  0.13090182668          1.0000000
            S    1   1.00
                  0.67053540256D-01      1.0000000
            P    3   1.00
                  9.4680970621           0.38387871728D-01
                  2.0103545142           0.21117025112
                  0.54771004707          0.51328172114
            P    1   1.00
                  0.15268613795          1.0000000
            D    1   1.00
                  0.8000000              1.0000000
            D    1   1.00
                  0.11713185140          1.0000000
            ****
            -N     0
            S    5   1.00
               1712.8415853             -0.53934125305D-02
                257.64812677            -0.40221581118D-01
                 58.458245853           -0.17931144990
                 16.198367905           -0.46376317823
                  5.0052600809          -0.44171422662
            S    1   1.00
                  0.58731856571          1.0000000
            S    1   1.00
                  0.18764592253          1.0000000
            S    1   1.00
                  0.96171241529D-01      1.0000000
            P    3   1.00
                 13.571470233           -0.40072398852D-01
                  2.9257372874          -0.21807045028
                  0.79927750754         -0.51294466049
            P    1   1.00
                  0.21954348034          1.0000000
            D    1   1.00
                  1.0000000              1.0000000
            D    1   1.00
                  0.16697708112          1.0000000
            ****
            -O     0
            S    5   1.00
               2266.1767785             -0.53431809926D-02
                340.87010191            -0.39890039230D-01
                 77.363135167           -0.17853911985
                 21.479644940           -0.46427684959
                  6.6589433124          -0.44309745172
            S    1   1.00
                  0.80975975668          1.0000000
            S    1   1.00
                  0.25530772234          1.0000000
            S    1   1.00
                  0.76572453250D-01      1.0000000
            P    3   1.00
                 17.721504317            0.43394573193D-01
                  3.8635505440           0.23094120765
                  1.0480920883           0.51375311064
            P    1   1.00
                  0.27641544411          1.0000000
            P    1   1.00
                  0.69002276350D-01      1.0000000
            D    1   1.00
                  1.2000000              1.0000000
            D    1   1.00
                  0.17992024323          1.0000000
            ****
            -F     0
            S    5   1.00
               2894.8325990             -0.53408255515D-02
                435.41939120            -0.39904258866D-01
                 98.843328866           -0.17912768038
                 27.485198001           -0.46758090825
                  8.5405498171          -0.44653131020
            S    1   1.00
                  1.0654578038           1.0000000
            S    1   1.00
                  0.33247346748          1.0000000
            S    1   1.00
                  0.98097752264D-01      1.0000000
            P    3   1.00
                 22.696633924           -0.45212874436D-01
                  4.9872339257          -0.23754317067
                  1.3491613954          -0.51287353587
            P    1   1.00
                  0.34829881977          1.0000000
            P    1   1.00
                  0.83372148304D-01      1.0000000
            D    1   1.00
                  1.4000000              1.0000000
            D    1   1.00
                  0.22301361948          1.0000000
            ****
            -Ne     0
            S    5   1.00
               3598.9736625             -0.53259297003D-02
                541.32073112            -0.39817417969D-01
                122.90450062            -0.17914358188
                 34.216617022           -0.46893582977
                 10.650584124           -0.44782537577
            S    1   1.00
                  1.3545953960           1.0000000
            S    1   1.00
                  0.41919362639          1.0000000
            S    1   1.00
                  0.12055043545          1.0000000
            P    3   1.00
                 28.424053785           -0.46031944795D-01
                  6.2822510953          -0.23993183041
                  1.6978715079          -0.50871724964
            P    1   1.00
                  0.43300700172          1.0000000
            P    1   1.00
                  0.10141942051          1.0000000
            D    1   1.00
                  1.8880000              1.0000000
            D    1   1.00
                  0.28026803041          1.0000000
            ****
            -Na     0
            S    5   1.00
               4098.2003908             -0.58535911879D-02
                616.49374031            -0.43647161872D-01
                139.96644001            -0.19431465884
                 39.073441051           -0.48685065731
                 11.929847205           -0.41881705137
            S    3   1.00
                 20.659966030            0.85949689854D-01
                  1.9838860978          -0.56359144041
                  0.64836323942         -0.51954009048
            S    1   1.00
                  0.52443967404D-01      1.0000000
            S    1   1.00
                  0.28048160742D-01      1.0000000
            P    5   1.00
                 75.401862017            0.154353625324D-01
                 17.274818978            0.997382931840D-01
                  5.1842347425           0.312095939659
                  1.6601211973           0.492956748074
                  0.51232528958          0.324203983180
            P    1   1.00
                  0.0520000              1.0000000
            P    1   1.00
                  0.19853008514D-01      1.0000000
            D    1   1.00
                  0.1310000              1.0000000
            ****
            -Mg     0
            S    5   1.00
               4953.8339196             -0.57778967498D-02
                745.18044154            -0.43124761082D-01
                169.21604972            -0.19268216987
                 47.300672019           -0.48641439116
                 14.461336973           -0.42550894077
            S    3   1.00
                 24.768174789            0.87956969984D-01
                  2.4940945349          -0.55165058128
                  0.87807584533         -0.53443294833
            S    1   1.00
                  0.87212782497D-01      1.0000000
            S    1   1.00
                  0.33599293780D-01      1.0000000
            P    5   1.00
                 98.053010494           -0.14480564601D-01
                 22.586932277           -0.95495750787D-01
                  6.8391509842          -0.30787672651
                  2.2332843818          -0.49936292886
                  0.71606599387         -0.31503476213
            P    1   1.00
                  0.18914796195          1.0000000
            P    1   1.00
                  0.53768755187D-01      1.0000000
            P    1   1.00
                  0.23963578287D-01      1.0000000
            D    1   1.00
                  0.1010000              1.0000000
            ****
            -Al     0
            S    5   1.00
               5887.5727030              0.13483347987D-02
                885.61225996             0.10071576809D-01
                201.13604899             0.45132454056D-01
                 56.284974674            0.11461268043
                 17.229551243            0.10159608943
            S    3   1.00
                 29.340249922            0.69347454208D-01
                  3.0439630420          -0.42528117679
                  1.1285539518          -0.41449832210
            S    1   1.00
                  0.14234175160          1.0000000
            S    1   1.00
                  0.54400192313D-01      1.0000000
            S    1   1.00
                  0.32535359511D-01      1.0000000
            P    5   1.00
                145.11918809             0.63963373134D-02
                 33.717894833            0.44189359965D-01
                 10.369863083            0.15581575993
                  3.5135616036           0.28635286951
                  1.1980050273           0.22921423248
            P    1   1.00
                  0.26583005913          1.0000000
            P    1   1.00
                  0.71003361994D-01      1.0000000
            D    1   1.00
                  0.3000000              1.0000000
            D    1   1.00
                  0.53071685831D-01      1.0000000
            ****
            -Si     0
            S    5   1.00
               6903.7118686              0.13373962995D-02
               1038.4346419              0.99966546241D-02
                235.87581480             0.44910165101D-01
                 66.069385169            0.11463638540
                 20.247945761            0.10280063858
            S    3   1.00
                 34.353481730            0.70837285010D-01
                  3.6370788192          -0.43028836252
                  1.4002048599          -0.41382774969
            S    1   1.00
                  0.20484414805          1.0000000
            S    1   1.00
                  0.77994095468D-01      1.0000000
            S    1   1.00
                  0.46834778282D-01      1.0000000
            P    5   1.00
                179.83907373             0.61916656462D-02
                 41.907258846            0.43399431982D-01
                 12.955294367            0.15632019351
                  4.4383267393           0.29419996982
                  1.5462247904           0.23536823814
            P    1   1.00
                  0.35607612302          1.0000000
            P    1   1.00
                  0.10008513762          1.0000000
            D    1   1.00
                  0.3500000              1.0000000
            D    1   1.00
                  0.74117707708D-01      1.0000000
            ****
            -P     0
            S    5   1.00
               8002.4795106              0.57503489302D-02
               1203.6813590              0.43007628959D-01
                273.44227031             0.19363986252
                 76.655541517            0.49651693399
                 23.516927435            0.44983262479
            S    3   1.00
                 39.791683439            0.95188129789D-01
                  4.2770343323          -0.57649840368
                  1.6940256888          -0.54239583865
            S    1   1.00
                  0.27567674644          1.0000000
            S    1   1.00
                  0.10495590099          1.0000000
            S    1   1.00
                  0.64309734755D-01      1.0000000
            P    5   1.00
                219.50755823             0.92100565257D-02
                 51.274155030            0.65409765745D-01
                 15.921595892            0.24033730279
                  5.5069913481           0.46318321788
                  1.9537719426           0.37392563382
            P    1   1.00
                  0.47803397932          1.0000000
            P    1   1.00
                  0.13657952621          1.0000000
            D    1   1.00
                  0.4500000              1.0000000
            D    1   1.00
                  0.99587311089D-01      1.0000000
            ****
            -S     0
            S    5   1.00
               9184.9303010             -0.22294387756D-02
               1381.5105503             -0.16683029937D-01
                313.87147580            -0.75262436116D-01
                 88.053870623           -0.19376827038
                 27.039914905           -0.17718020803
            S    3   1.00
                 45.648731303           -0.10736062573
                  4.9664522326           0.65066293018
                  2.0116242047           0.59712155354
            S    1   1.00
                  0.35661077013          1.0000000
            S    1   1.00
                  0.13507221477          1.0000000
            S    1   1.00
                  0.44999823506D-01      1.0000000
            P    5   1.00
                261.98233439            -0.92729929822D-02
                 61.306894736           -0.66547669241D-01
                 19.103729887           -0.24828595903
                  6.6567720378          -0.48703847402
                  2.3959635161          -0.39337850312
            P    1   1.00
                  0.61776161679          1.0000000
            P    1   1.00
                  0.16993376871          1.0000000
            P    1   1.00
                  0.41706793676D-01      1.0000000
            D    1   1.00
                  0.5500000              1.0000000
            D    1   1.00
                  0.10172853717          1.0000000
            ****
            -Cl     0
            S    5   1.00
              10449.8275660              0.19708362484D-02
               1571.7365221              0.14754727977D-01
                357.12065523             0.66679112875D-01
                100.25185935             0.17228924084
                 30.812727554            0.15883786100
            S    3   1.00
                 51.923789434           -0.10009298909
                  5.7045760975           0.60841752753
                  2.3508376809           0.54352153355
            S    1   1.00
                  0.44605124672          1.0000000
            S    1   1.00
                  0.16848856190          1.0000000
            S    1   1.00
                  0.55344229413D-01      1.0000000
            P    5   1.00
                307.66790569            -0.87801484118D-02
                 72.102015515           -0.63563355471D-01
                 22.532680262           -0.24016428276
                  7.8991765444          -0.47798866557
                  2.8767268321          -0.38515850005
            P    1   1.00
                  0.77459363955          1.0000000
            P    1   1.00
                  0.21037699698          1.0000000
            P    1   1.00
                  0.50046271086D-01      1.0000000
            D    1   1.00
                  0.6500000              1.0000000
            D    1   1.00
                  0.12284803390          1.0000000
            ****
            -Ar     0
            S    5   1.00
              11797.1197650              0.20214479973D-02
               1774.3522753              0.15139852688D-01
                403.18875733             0.68525400873D-01
                113.24933999             0.17762929207
                 34.835298193            0.16496495001
            S    3   1.00
                 58.614775042           -0.10343394000
                  6.4922045078           0.63133365899
                  2.7117014403           0.54887572301
            S    1   1.00
                  0.54412974538          1.0000000
            S    1   1.00
                  0.20517411136          1.0000000
            S    1   1.00
                  0.66442487045D-01      1.0000000
            P    5   1.00
                356.28707256            -0.87321783271D-02
                 83.593132866           -0.63680317444D-01
                 26.186704029           -0.24311906886
                  9.2257275925          -0.48956069653
                  3.3922754954          -0.39229190040
            P    1   1.00
                  0.94740534010          1.0000000
            P    1   1.00
                  0.25659135062          1.0000000
            P    1   1.00
                  0.59491455142D-01      1.0000000
            D    1   1.00
                  0.6960000              1.0000000
            D    1   1.00
                  0.14309493859          1.0000000
            ****
            -K     0
            S    6   1.00
              31478.7467640              0.39838653994D-02
               4726.8876066              0.30501759762D-01
               1075.4345353              0.15073752622
                303.39811023             0.51912939801
                 98.327112831            1.0366957005
                 33.636222177            0.76398963199
            S    3   1.00
                 65.639209962           -0.28242617106
                  7.3162592218           1.6914935860
                  2.8902580135           1.2965331953
            S    3   1.00
                  4.5459748965          -0.76343555273D-02
                  0.70404124062          0.25635718960D-01
                  0.28266888959          0.16606859208D-01
            S    1   1.00
                  0.29058164020D-01      1.0000000
            S    1   1.00
                  0.12111638157D-01      1.0000000
            P    5   1.00
                361.22492154             0.20906479823D-01
                 84.670222166            0.15043641740
                 26.469088236            0.55440061077
                  9.2658077615           1.0409009991
                  3.3423388293           0.67825341194
            P    3   1.00
                  1.5100876104           0.75248191146
                  0.56568375163          1.3708585031
                  0.20817008495          0.66047633079
            P    1   1.00
                  0.0417370              1.0000000
            P    1   1.00
                  0.16603217986D-01      1.0000000
            D    1   1.00
                  0.3530000              1.0000000
            D    1   1.00
                  0.0980000              1.0000000
            ****
            -Ca     0
            S    6   1.00
              35138.7139290              0.39482520740D-02
               5276.4111348              0.30234243552D-01
               1200.4692589              0.14952019681
                338.71810542             0.51597345713
                109.85385922             1.0339510296
                 37.608880299            0.76937933526
            S    3   1.00
                 73.107977555           -0.28268525011
                  8.2407705688           1.6796092142
                  3.2959812993           1.2803766016
            S    3   1.00
                  5.2341800914          -0.76868604561D-02
                  0.84187220515          0.25382375978D-01
                  0.36510294029          0.16512171511D-01
            S    1   1.00
                  0.51222402884D-01      1.0000000
            S    1   1.00
                  0.19825111408D-01      1.0000000
            P    5   1.00
                413.11313893             0.20327135354D-01
                 96.935786224            0.14730276362
                 30.372154659            0.54887167322
                 10.684776830            1.0440659818
                  3.8821258350           0.68653490684
            P    3   1.00
                  1.7993016295           0.75410246871
                  0.69189056530          1.3409296599
                  0.26364024096          0.56391989435
            P    1   1.00
                  0.0749790              1.0000000
            P    1   1.00
                  0.23809355789D-01      1.0000000
            D    3   1.00
                  5.4979093879           0.73770011433D-01
                  1.3177128032           0.26052853169
                  0.32188682649          0.45233836380
            D    1   1.00
                  0.70528614919D-01      1.0000000
            ****
            -Sc     0
            S    6   1.00
              38956.0818040              0.39293205858D-02
               5849.5733637              0.30093221229D-01
               1330.8813154              0.14890370950
                375.55534165             0.51464282906
                121.87261370             1.0337708070
                 41.760243729            0.77436851627
            S    3   1.00
                 81.060633953           -0.28318552316
                  9.2059823972           1.6770806984
                  3.7063215732           1.2594733678
            S    3   1.00
                  5.9888909988          -0.77821367493D-02
                  0.97363432378          0.25499692745D-01
                  0.42041019223          0.16191560820D-01
            S    1   1.00
                  0.59440551913D-01      1.0000000
            S    1   1.00
                  0.22897806303D-01      1.0000000
            P    5   1.00
                466.31481262             0.19984300385D-01
                109.51217097             0.14561043072
                 34.375921827            0.54687466223
                 12.142096955            1.0479006012
                  4.4336767669           0.68894890327
            P    3   1.00
                  2.0971291866           0.75619214724
                  0.80977606956          1.3178212235
                  0.30834046588          0.54312268173
            P    1   1.00
                  0.0897480              1.0000000
            P    1   1.00
                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
                222.93325020            -0.11198808009
                 26.726257934            0.64752124207
                 11.124501923            0.44241976651
            S    3   1.00
                 19.888520061           -0.22857227762
                  3.3668473803           0.73591359951
                  1.5249277839           0.44330199577
            S    1   1.00
                  0.29630037912          1.0000000
            S    1   1.00
                  0.11009288974          1.0000000
            S    1   1.00
                  0.42167294728D-01      1.0000000
            P    5   1.00
               1455.9068120              0.88203597043D-02
                343.75101831             0.66875851967D-01
                109.29554964             0.26640578080
                 39.707711022            0.53834928422
                 14.950185232            0.36303281993
            P    3   1.00
                  8.0208962094           0.34153807025
                  3.2934649756           0.57257906583
                  1.4058602438           0.25549813222
            P    1   1.00
                  0.45076123226          1.0000000
            P    1   1.00
                  0.13353413325          1.0000000
            P    1   1.00
                  0.34396697938D-01      1.0000000
            D    4   1.00
                 94.494024044            0.23490101098D-01
                 27.188185260            0.13747735767D+00
                  9.5091567352           0.36649929124D+00
                  3.4170516853           0.48750989884D+00
            D    1   1.00
                  1.1479590083            .27657943383D+00
            D    1   1.00
                  0.3380000              1.0000000
            D    1   1.00
                  0.82767380906D-01      1.0000000
            ****
            -Br     0
            S    6   1.00
             113286.3877600              0.14283037779D-02
              17009.6263030              0.10950417496D-01
               3870.1842567              0.54421006604D-01
               1093.0357227              0.19047907695
                356.39721797             0.39024642737
                123.12539643             0.30814432514
            S    3   1.00
                236.74084007            -0.11228065671
                 28.468661070            0.64775962312
                 11.883443722            0.44235575986
            S    3   1.00
                 21.269633312           -0.22642576323
                  3.6129226841           0.73823712008
                  1.6626648969           0.42683868694
            S    1   1.00
                  0.34823793232          1.0000000
            S    1   1.00
                  0.13019031394          1.0000000
            S    1   1.00
                  0.50966709763D-01      1.0000000
            P    5   1.00
               1560.2801881              0.87166669072D-02
                368.47859205             0.66243637420D-01
                117.22978849             0.26495610385
                 42.648909248            0.53839160587
                 16.087225096            0.36579387888
            P    3   1.00
                  8.6352810058           0.34248787366
                  3.5613665502           0.57500678213
                  1.5292626609           0.24330394172
            P    1   1.00
                  0.53064294848          1.0000000
            P    1   1.00
                  0.15702758965          1.0000000
            P    1   1.00
                  0.39636841846D-01      1.0000000
            D    4   1.00
                104.85518642             0.22650147581D-01
                 30.281143688            0.13455483230
                 10.651394267            0.36474454537
                  3.8699456233           0.49044587056
            D    1   1.00
                  1.3240876762            .27137289040
            D    1   1.00
                  0.3890000              1.0000000
            D    1   1.00
                  0.96543342393D-01      1.0000000
            ****
            -Kr     0
            S    6   1.00
             120165.6487500              0.14294234496D-02
              18042.5001690              0.10959597020D-01
               4105.1800388              0.54479647470D-01
               1159.4447248              0.19081239122
                378.13810346             0.39140445949
                130.67610045             0.31007346689
            S    3   1.00
                250.96373353            -0.11258604011
                 30.265930380            0.64816322524
                 12.668110757            0.44240238994
            S    3   1.00
                 22.697940101           -0.22391964908
                  3.8673017398           0.74060953026
                  1.8013706671           0.40803658445
            S    1   1.00
                  0.40308639136          1.0000000
            S    1   1.00
                  0.15170527749          1.0000000
            S    1   1.00
                  0.60450731670D-01      1.0000000
            P    5   1.00
               1668.5736623              0.86215009803D-02
                394.13862798             0.65665506884D-01
                125.46644854             0.26366576697
                 45.704992729            0.53867658574
                 17.270133229            0.36865167502
            P    3   1.00
                  9.2699487770           0.34346189015
                  3.8364617719           0.57784776196
                  1.6467163312           0.23075615197
            P    1   1.00
                  0.61479686489          1.0000000
            P    1   1.00
                  0.18319467414          1.0000000
            P    1   1.00
                  0.45792563991D-01      1.0000000
            D    4   1.00
                115.55868603             0.21945485333D-01
                 33.477985864            0.13211212879
                 11.834450207            0.36333306964
                  4.3408254894           0.49300484446
            D    1   1.00
                  1.5079273157            .26676858913
            D    1   1.00
                  0.4430000              1.0000000
            D    1   1.00
                  0.11235044486          1.0000000
            ****
            -Rb     0
            S    3   1.00
                  4.6687885071           0.29008526793
                  2.9442428420          -0.67740090428
                  0.58171262989          0.45712389487
            S    1   1.00
                  0.45147933555          1.0000000
            S    1   1.00
                  0.21604923532          1.0000000
            S    1   1.00
                  0.32088816526D-01      1.0000000
            S    1   1.00
                  0.13833878175D-01      1.0000000
            P    4   1.00
                  5.5234179480           0.51234729472D-01
                  3.4120149646          -0.17337025646
                  0.76899021792          0.43339683188
                  0.33088071786          0.55354332721
            P    1   1.00
                  0.13423268441          1.0000000
            P    1   1.00
                  0.20642679613D-01      1.0000000
            P    1   1.00
                  0.43243763156D-02      1.0000000
            D    1   1.00
                  0.2260000              1.0000000
            D    1   1.00
                  0.27432280711D-01      1.0000000
            ****
            -Sr     0
            S    3   1.00
                  5.9276428767           0.19698765364
                  3.0691274814          -0.64852205985
                  0.70675488028          0.62064729022
            S    1   1.00
                  0.33824024280          1.0000000
            S    1   1.00
                  0.61768869200D-01      1.0000000
            S    1   1.00
                  0.25767593093D-01      1.0000000
            P    4   1.00
                  2.4324720000          -0.37145059848
                  1.6642340000           0.37856824234
                  0.59455471858          0.59874487803
                  0.26152621998          0.35314019512
            P    1   1.00
                  0.10258814042          1.0000000
            P    1   1.00
                  0.33223404030D-01      1.0000000
            P    1   1.00
                  0.16570352270D-01      1.0000000
            D    4   1.00
                  3.6180810000          -0.75010000000D-02
                  0.99665600000          0.10809800000
                  0.39073500000          0.27854000000
                  0.12277000000          0.47731800000
            D    1   1.00
                  0.36655000000D-01       .44818300000
            ****
            -Y     0
            S    3   1.00
                  5.1329580000          -1.3864845457
                  4.2401920000           1.9459581166
                  1.2982800000           0.44182603154
            S    1   1.00
                  0.82904954347          1.0000000
            S    1   1.00
                  0.34752758911          1.0000000
            S    1   1.00
                  0.68418878574D-01      1.0000000
            S    1   1.00
                  0.27323992904D-01      1.0000000
            P    4   1.00
                  2.7279200000          -0.37249884911871
                  1.9790500000           0.32572065995957
                  0.79980886805          0.50094655502482
                  0.38409397354          0.44385929492812
            P    1   1.00
                  0.16173582264          1.0000000
            P    1   1.00
                  0.69700000000D-01      1.0000000
            P    1   1.00
                  0.0300000              1.0000000
            D    4   1.00
                  3.9030833060          -0.0098209792625124
                  1.1363234302           0.19183629664092
                  0.45617043877          0.40597788538820
                  0.17470950748          0.43861485518224
            D    1   1.00
                  0.61978796638D-01      1.0000000
            F    1   1.00
                  0.2651500              1.0000000
            ****
            -Zr     0
            S    3   1.00
                  5.8737890000           0.54255558714
                  4.2872700000          -0.95241333244
                  1.4641370000          -0.13703926411
            S    1   1.00
                  0.83727682345           .88521584390
            S    1   1.00
                  0.36849806511          1.0000000
            S    1   1.00
                  0.77806859124D-01      1.0000000
            S    1   1.00
                  0.30273088330D-01      1.0000000
            P    4   1.00
                  2.8742240000          -0.46624086918
                  2.1199010000           0.45883133891
                  0.78845821105          0.58853912475
                  0.36332579847          0.35822232244
            P    1   1.00
                  0.14951762021          1.0000000
            P    1   1.00
                  0.67000000000D-01      1.0000000
            P    1   1.00
                  0.30000000000D-01      1.0000000
            D    4   1.00
                  4.2898623878          -0.12212868080D-01
                  1.3615557498           0.19692423520
                  0.56937550689          0.42057831659
                  0.22674948677          0.42757027999
            D    1   1.00
                  0.83011031631D-01      1.0000000
            F    1   1.00
                  0.3926100              1.0000000
            ****
            -Nb     0
            S    3   1.00
                  6.5663010000          -0.94917907866
                  4.5864380000           1.5736372883
                  3.7537700000           0.36380422981
            S    1   1.00
                  0.84187717437          1.0000000
            S    1   1.00
                  0.38160666177          1.0000000
            S    1   1.00
                  0.85819911368D-01      1.0000000
            S    1   1.00
                  0.32702330370D-01      1.0000000
            P    4   1.00
                  3.0700630000          -0.51025115881
                  2.2379640000           0.53570598017
                  0.80801969671          0.63102216351
                  0.35783343432          0.30205908942
            P    1   1.00
                  0.13820085283          1.0000000
            P    1   1.00
                  0.70500000000D-01      1.0000000
            P    1   1.00
                  0.0360000              1.0000000
            D    4   1.00
                  4.6170975867          -0.13574476955D-01
                  1.5663438480           0.20374310496
                  0.66952425826          0.42997453105
                  0.27140946867          0.4179975484761
            D    1   1.00
                  0.10054426592          1.0000000
            F    1   1.00
                  0.5227000              1.0000000
            ****
            -Mo     0
            S    3   1.00
                  7.2033800000          -0.89310617237
                  5.0522950000           1.6074095756
                  2.9135330000           0.27804186088
            S    1   1.00
                  0.97858218681          1.0000000
            S    1   1.00
                  0.44369153753          1.0000000
            S    1   1.00
                  0.92150090705D-01      1.0000000
            S    1   1.00
                  0.34802246935D-01      1.0000000
            P    4   1.00
                  3.1518660000          -0.71873040872
                  2.4534820000           0.76442887870
                  0.85030192180          0.64808585640
                  0.36918237179          0.26792115234
            P    1   1.00
                  0.13490627460          1.0000000
            P    1   1.00
                  0.71800000000D-01      1.0000000
            P    1   1.00
                  0.38200000000D-01      1.0000000
            D    4   1.00
                  5.0044445497          -0.21587364862D-01
                  1.7736823324           0.20958680086
                  0.76950591696          0.43730880599
                  0.31530878939          0.41123927009
            D    1   1.00
                  0.11754374390          1.0000000
            F    1   1.00
                  0.6554500              1.0000000
            ****
            -Tc     0
            S    3   1.00
                  7.4344020000          -1.1436289973
                  5.5513270000           1.8752000559
                  3.0230860000           0.23952854431
            S    1   1.00
                  1.0647443990           1.0000000
            S    1   1.00
                  0.48127808497          1.0000000
            S    1   1.00
                  0.98299016952D-01      1.0000000
            S    1   1.00
                  0.36659977936D-01      1.0000000
            P    4   1.00
                  3.4490050000          -0.72277510434
                  2.6927370000           0.76458962802
                  0.94427370692          0.64533225171
                  0.41348148619          0.27195668811
            P    1   1.00
                  0.15488152305          1.0000000
            P    1   1.00
                  0.79000000000D-01      1.0000000
            P    1   1.00
                  0.40300000000D-01      1.0000000
            D    4   1.00
                  5.0906268699          -0.32176405405D-01
                  2.0156178510           0.21280802536
                  0.88113887240          0.44403309175
                  0.36427094833          0.40796933085
            D    1   1.00
                  0.13678402297          1.0000000
            F    1   1.00
                  0.7908500              1.0000000
            ****
            -Ru     0
            S    3   1.00
                  7.9365700000          -1.1772083350
                  5.9842450000           1.6197059592
                  4.8822200000           0.51065807556
            S    1   1.00
                  1.1031002163           1.0000000
            S    1   1.00
                  0.49818875261          1.0000000
            S    1   1.00
                  0.10678711393          1.0000000
            S    1   1.00
                  0.39191775872D-01      1.0000000
            P    4   1.00
                  3.7546090000          -0.70777873563
                  2.9165710000           0.74954391484
                  1.0322209568           0.64660609645
                  0.45249553774          0.27029086816
            P    1   1.00
                  0.16987042198          1.0000000
            P    1   1.00
                  0.85500000000D-01      1.0000000
            P    1   1.00
                  0.43000000000D-01      1.0000000
            D    4   1.00
                  5.7341846619          -0.35266111560D-01
                  2.2483686294           0.21802502222
                  0.98376978359          0.44709565013
                  0.40379445583          0.40371732508
            D    1   1.00
                  0.14978618173          1.0000000
            F    1   1.00
                  0.9431400              1.0000000
            ****
            -Rh     0
            S    3   1.00
                  7.9177440000           0.14014042010165D+01
                  6.8412070000          -0.17975072656312D+01
                  2.9598400000          -0.16225754496571
            S    1   1.00
                  1.3166643441            .87495110714057
            S    1   1.00
                  0.56907152172          1.0000000
            S    1   1.00
                  0.10059695193          1.0000000
            S    1   1.00
                  0.37071460798D-01      1.0000000
            P    4   1.00
                  4.1360790000          -0.55183328017626
                  2.9462810000           0.61370533515352
                  1.0792431924           0.64005434538256
                  0.46611217769          0.25958050755066
            P    1   1.00
                  0.17453169991          1.0000000
            P    1   1.00
                  0.84600000000D-01      1.0000000
            P    1   1.00
                  0.0410000              1.0000000
            D    4   1.00
                  6.8847131641          -0.15962387984517D-01
                  2.3837304391           0.23047555828858
                  1.0184384022           0.44075804027937
                  0.39957494644          0.39567661995894
            D    1   1.00
                  0.13951120264          1.0000000
            F    1   1.00
                  1.0949900              1.0000000
            ****
            -Pd     0
            S    3   1.00
                  8.4756400000           1.2392391076
                  7.1657170000          -1.6563109970
                  3.1821100000          -0.13178619060
            S    1   1.00
                  1.3973644196           1.0000000
            S    1   1.00
                  0.60532955868          1.0000000
            S    1   1.00
                  0.10229514209          1.0000000
            S    1   1.00
                  0.37338972881D-01      1.0000000
            P    4   1.00
                  4.2460970000          -0.82324104973
                  3.3925940000           0.87084659933
                  1.1975891264           0.63512225791
                  0.52673750585          0.27225338752
            P    1   1.00
                  0.20607094098          1.0000000
            P    1   1.00
                  0.87300000000D-01      1.0000000
            P    1   1.00
                  0.37000000000D-01      1.0000000
            D    4   1.00
                  7.3613290985          -0.17199885828D-01
                  2.6291037258           0.23313745275
                  1.1292744634           0.44536385867
                  0.44471659896          0.39293650406
            D    1   1.00
                  0.15544893836          1.0000000
            F    1   1.00
                  1.2462900              1.0000000
            ****
            -Ag     0
            S    3   1.00
                  9.0884420000          -1.9808918797
                  7.5407310000           2.7554513347
                  2.7940050000           0.22715408381
            S    1   1.00
                  1.4918135849           1.0000000
            S    1   1.00
                  0.63579159445          1.0000000
            S    1   1.00
                  0.10368414161          1.0000000
            S    1   1.00
                  0.37460004363D-01      1.0000000
            P    4   1.00
                  4.4512400000          -0.99352103771
                  3.6752630000           1.0500525237
                  1.2610620905           0.64747532537
                  0.54212477498          0.25621550723
            P    1   1.00
                  0.20221617026          1.0000000
            P    1   1.00
                  0.91300000000D-01      1.0000000
            P    1   1.00
                  0.0412000              1.0000000
            D    4   1.00
                  7.7956672292          -0.17042912377D-01
                  2.8926510238           0.23446154803
                  1.2474273203           0.44765877533
                  0.49313817671          0.39064954560
            D    1   1.00
                  0.17285032603          1.0000000
            F    1   1.00
                  1.3971100              1.0000000
            ****
            -Cd     0
            S    3   1.00
                  9.7270110000          -1.7930075316
                  7.8375230000           2.6110318971
                  5.0891940000           0.10748428949
            S    1   1.00
                  1.4981738327           1.0000000
            S    1   1.00
                  0.67281383129          1.0000000
            S    1   1.00
                  0.13297424875          1.0000000
            S    1   1.00
                  0.46915090488D-01      1.0000000
            P    4   1.00
                  4.7427160000          -1.0411923051
                  3.9366550000           1.1003682332
                  1.3569243142           0.65366639411
                  0.58791569541          0.24632369113
            P    1   1.00
                  0.21371239619          1.0000000
            P    1   1.00
                  0.10500000000          1.0000000
            P    1   1.00
                  0.0516000              1.0000000
            D    4   1.00
                  7.8631040859          -0.21376239365D-01
                  3.2935059133           0.22596399568
                  1.4503676025           0.45294402972
                  0.59373316766          0.39218971958231D+00
            D    1   1.00
                  0.21760141520          1.0000000
            F    1   1.00
                  1.5981300              1.0000000
            ****
            -In     0
            S    6   1.00
                283.52297445             0.70132141424D-03
                 23.324282101           -0.90887432418D-01
                 16.868026844            0.28096825177
                  6.7866498137          -0.70697832452
                  1.6782596016           0.98671644913
                  0.78396870439          0.62568576302
            S    2   1.00
                  1.8276654775          -0.34151640249
                  0.83753492534         -0.59696724334
            S    1   1.00
                  0.16643068973          1.0000000
            S    1   1.00
                  0.61143742809D-01      1.0000000
            S    1   1.00
                  0.25528481617D-01      1.0000000
            P    4   1.00
                 14.699191826            0.92248042349D-01
                  8.8709038051          -0.32437029300
                  1.1342905889           0.61162217018
                  0.52667652433          0.17609640386
            P    1   1.00
                  2.3284433667           1.0000000
            P    1   1.00
                  0.16859144934          1.0000000
            P    1   1.00
                  0.50070381081D-01      1.0000000
            D    5   1.00
                 31.378655926            0.54007004722D-02
                 18.290046326           -0.11208558948D-01
                  3.2551894590           0.30384519161
                  1.3874842584           0.54078109979
                  0.54248962672          0.38232680038
            D    1   1.00
                  0.18000000000          1.0000000
            D    1   1.00
                  0.41325112998D-01      1.0000000
            ****
            -Sn     0
            S    6   1.00
                375.95156177             0.15224884228D-02
                 23.661818008           -0.16776065030
                 19.946281315            0.33989090393
                  6.8240270454          -0.84441791529
                  1.8771488722           0.92646952846
                  0.82033199226          0.53091094490
            S    2   1.00
                 10.341549887           -0.90331119154D-02
                  1.3672524155           0.22980877714
            S    1   1.00
                  0.18314843823          1.0000000
            S    1   1.00
                  0.69547226146D-01      1.0000000
            S    1   1.00
                  0.34867474697D-01      1.0000000
            P    4   1.00
                 21.293597748            0.37103218279D-01
                  8.8171842499          -0.32351709661
                  1.2347028371           0.83846760898
                  0.57869142617          0.23294977050
            P    1   1.00
                  2.5084050284           1.0000000
            P    1   1.00
                  0.21298577719          1.0000000
            P    1   1.00
                  0.67364584657D-01      1.0000000
            D    5   1.00
                 39.693023177            0.39185734275D-02
                 20.852179275           -0.68210073667D-02
                  3.6907832774           0.27938420495
                  1.5849404530           0.52607409874
                  0.62772693365          0.36149465348
            D    1   1.00
                  0.20500000000          1.0000000
            D    1   1.00
                  0.54356625231D-01      1.0000000
            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
                  1.9052000235           0.92017581656
                  0.93007107773          0.46754079597
            S    2   1.00
                 10.584496987           -0.14845336778D-01
                  1.4680242769           0.35289492025
            S    1   1.00
                  0.21621190032          1.0000000
            S    1   1.00
                  0.83546307041D-01      1.0000000
            S    1   1.00
                  0.43729879440D-01      1.0000000
            P    4   1.00
                 15.926550950            0.13206950012
                 10.052739237           -0.41511149340
                  1.2682183726           0.74197972626
                  0.57196620929          0.15580772750
            P    1   1.00
                  2.6190751238           1.0000000
            P    1   1.00
                  0.25183282652          1.0000000
            P    1   1.00
                  0.83389127684D-01      1.0000000
            D    5   1.00
                 45.485063360            0.32556415807D-02
                 18.504059617           -0.54952972010D-02
                  3.9156032308           0.27988806353
                  1.7142196009           0.51273377761
                  0.69675478242          0.33288802736
            D    1   1.00
                  0.23060000000          1.0000000
            D    1   1.00
                  0.66830850850D-01      1.0000000
            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
                  2.0705998798           0.79192928400
                  0.97715185085          0.40558342540
            S    2   1.00
                 11.263563841           -0.15212984183D-01
                  1.6122696062           0.35202140517
            S    1   1.00
                  0.25095401705          1.0000000
            S    1   1.00
                  0.97478452576D-01      1.0000000
            S    1   1.00
                  0.38352170654D-01      1.0000000
            P    4   1.00
                 17.479502221            0.11517799182
                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
                  0.59239616258          0.15283299018
            P    1   1.00
                  2.7961737670           1.0000000
            P    1   1.00
                  0.29766401026          1.0000000
            P    1   1.00
                  0.96151090240D-01      1.0000000
            P    1   1.00
                  0.26339831052D-01      1.0000000
            D    5   1.00
                 50.821835991            0.33763474774D-02
                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
                  0.77069282849          0.32213541689
            D    1   1.00
                  0.25000000000          1.0000000
            D    1   1.00
                  0.66543837442D-01      1.0000000
            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
                 11.720547572           -0.16160234511D-01
                  1.7625986449           0.35271525193
            S    1   1.00
                  0.28697476318          1.0000000
            S    1   1.00
                  0.11227609607          1.0000000
            S    1   1.00
                  0.45123635492D-01      1.0000000
            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
                  3.0288656771           1.0000000
            P    1   1.00
                  0.34506591841          1.0000000
            P    1   1.00
                  0.11134513813          1.0000000
            P    1   1.00
                  0.29795507230D-01      1.0000000
            D    5   1.00
                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
                  0.87640281623          0.31232025297
            D    1   1.00
                  0.30900000000          1.0000000
            D    1   1.00
                  0.77987255180D-01      1.0000000
            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
                 18.048324490            0.57524870348
            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
                  2.6257211320           1.0000000
            S    1   1.00
                  1.2905042943           1.0000000
            S    1   1.00
                  0.36204185060          1.0000000
            S    1   1.00
                  0.14069888091          1.0000000
            S    1   1.00
                  0.50201095588D-01      1.0000000
            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
                  0.52321923128          1.0000000
            P    1   1.00
                  0.21945569800          1.0000000
            P    1   1.00
                  0.86158996836D-01      1.0000000
            P    1   1.00
                  0.23749464135D-01      1.0000000
            D    6   1.00
                135.60300038             0.81873543290D-03
                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
                  1.2938205124           0.36029482992
            D    1   1.00
                  0.58050830139          1.0000000
            D    1   1.00
                  0.18000000000          1.0000000
            D    1   1.00
                  0.68002755933D-01      1.0000000
            F    1   1.00
                  2.5000000              1.0000000
            F    1   1.00
                  0.49652793             1.0000000
            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
                  0.37485237136          1.0000000
            S    1   1.00
                  0.16384858778          1.0000000
            S    1   1.00
                  0.27230462048D-01      1.0000000
            S    1   1.00
                  0.11991533212D-01      1.0000000
            P    4   1.00
                  4.2751856154           0.45723074174D-01
                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
                  0.91450850296D-01      1.0000000
            P    1   1.00
                  0.17592078473D-01      1.0000000
            P    1   1.00
                  0.33986441258D-02      1.0000000
            D    1   1.00
                  0.1330000              1.0000000
            D    1   1.00
                  0.33216214821D-01      1.0000000
            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
                  0.27420073547          1.0000000
            S    1   1.00
                  0.40933264188D-01      1.0000000
            S    1   1.00
                  0.18060156423D-01      1.0000000
            P    4   1.00
                  2.9267420000           0.79815276764
                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
                  0.13221792446          1.0000000
            P    1   1.00
                  0.33039565349D-01      1.0000000
            P    1   1.00
                  0.14159090510D-01      1.0000000
            D    4   1.00
                  0.9663150             -0.9089380
                  0.8938280              0.9472400
                  0.2731950              0.3220570
                  0.1038910              0.4732600
            D    1   1.00
                  0.0355780              0.365977
            F    4   1.00
                 10.00                   0.073
                  3.20                   0.210
                  1.00                   0.350
                  0.32                   0.360
            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
                  0.48954926461          1.0000000
            S    1   1.00
                  0.23292032550          1.0000000
            S    1   1.00
                  0.55595529876D-01      1.0000000
            S    1   1.00
                  0.22795184937D-01      1.0000000
            P    4   1.00
                  3.0251610000          -0.28580266654872D+00
                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
                  0.32519427171         -0.58864843929619D+00
            P    1   1.00
                  0.13635489374          1.0000000
            P    1   1.00
                  0.58500000000D-01      1.0000000
            P    1   1.00
                  0.0251000              1.0000000
            D    4   1.00
                  1.2667182018          -0.17445579381106D+00
                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
                  0.13398788830          0.44878277154181D+00
            D    1   1.00
                  0.51275503081D-01      1.0000000
            F    1   1.00
                  0.2568300              1.0000000
            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
                  0.79665469409          1.0000000
            S    1   1.00
                  0.34234072894          1.0000000
            S    1   1.00
                  0.98109197714D-01      1.0000000
            S    1   1.00
                  0.36190984443D-01      1.0000000
            P    4   1.00
                  6.7265310000           0.65076205465872
                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
                  0.20258973792          1.0000000
            P    1   1.00
                  0.82500000000D-01      1.0000000
            P    1   1.00
                  0.0336000              1.0000000
            D    4   1.00
                  3.9820623229          -0.042446023944105
                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
                  0.73099858787D-01      1.0000000
            F    1   1.00
                  0.3154700              1.0000000
            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
                  0.39142776556D-01      1.0000000
            P    4   1.00
                  7.4188720000           0.26979695152
                  5.6984100000          -0.46968874449
                  1.1777211960           0.50905100155
                  0.54478533555          0.52298161137
            P    1   1.00
                  0.22309270117          1.0000000
            P    1   1.00
                  0.98100000000D-01      1.0000000
            P    1   1.00
                  0.0431000              1.0000000
            D    4   1.00
                  3.9738796278          -0.52799310714D-01
                  1.4528884813           0.18558319471
                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
                  0.87909318337D-01      1.0000000
            F    1   1.00
                  0.3738600              1.0000000
            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
            S    1   1.00
                  0.92785370307          1.0000000
            S    1   1.00
                  0.40334458241          1.0000000
            S    1   1.00
                  0.11585976646          1.0000000
            S    1   1.00
                  0.41800474073D-01      1.0000000
            P    4   1.00
                  7.2496570000           0.45857265530
                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
                  0.24106964301          1.0000000
            P    1   1.00
                  0.98600000000D-01      1.0000000
            P    1   1.00
                  0.0403000              1.0000000
            D    4   1.00
                  4.0131231332          -0.63416491808D-01
                  1.6237452450           0.18452733732
                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
                  0.10225296446          1.0000000
            F    1   1.00
                  0.4319900              1.0000000
            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
            S    1   1.00
                  0.43949851581D-01      1.0000000
            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
                  0.25922718696          1.0000000
            P    1   1.00
                  0.11190000000          1.0000000
            P    1   1.00
                  0.04200000000          1.0000000
            D    4   1.00
                  4.0616274916          -0.76667295205D-01
                  1.8487943286           0.18067495215
                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
                  0.11892742980          1.0000000
            F    1   1.00
                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
                  0.46783543749          1.0000000
            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
                  0.47101982911D-01      1.0000000
            P    4   1.00
                  7.9362790000           0.33899369659
                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
                  0.12830000000          1.0000000
            P    1   1.00
                  0.04800000000          1.0000000
            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
                  0.31306011113          1.0000000
            P    1   1.00
                  0.13100000000          1.0000000
            P    1   1.00
                  0.0548000              1.0000000
            D    4   1.00
                  3.6994850000          -0.54840155964653
                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
                  0.48989034059D-01      1.0000000
            P    4   1.00
                  8.1000000000           0.72955608128
                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
                  0.30270484669          1.0000000
            P    1   1.00
                  0.12300000000          1.0000000
            P    1   1.00
                  0.50000000000D-01      1.0000000
            D    4   1.00
                  4.6299536825          -0.87774450596D-01
                  2.1980241252           0.21158360681
                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
                  0.48876985527D-01      1.0000000
            P    4   1.00
                  8.6096650000           0.50053018599
                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
                  0.32384840661          1.0000000
            P    1   1.00
                  0.13220000000          1.0000000
            P    1   1.00
                  0.0540000              1.0000000
            D    4   1.00
                  4.1439490000          -0.37099566643
                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
                  0.16490636769          1.0000000
            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
                  9.7729900000           0.21210940502
                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
                  0.34494917659          1.0000000
            P    1   1.00
                  0.15540000000          1.0000000
            P    1   1.00
                  0.07000000000          1.0000000
            D    4   1.00
                  4.2800000000          -0.32033414305491
                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
                  0.18501599388          1.0000000
            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/30_conformer04/Gau-17693.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/30_conformer04/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     17697.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=30_ibuprofen_conformer05_STD_wB97XD_def2SVPD
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Wed Sep  8 12:29:37 2021, MaxMem=  6442450944 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "30_ibuprofen_conformer05_STD_wB97XD_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.709910000000      0.670807000000     -0.967581000000
  C                                                -1.514787000000     -0.421985000000     -0.641507000000
  C                                                 0.592878000000      0.771936000000     -0.502207000000
  C                                                 1.137615000000     -0.225982000000      0.304676000000
  C                                                 0.347678000000     -1.327177000000      0.619024000000
  C                                                -0.957714000000     -1.421755000000      0.154368000000
  C                                                -2.940864000000     -0.508394000000     -1.117499000000
  C                                                -3.987455000000      0.128199000000     -0.171742000000
  C                                                -3.779028000000      1.632708000000     -0.004548000000
  C                                                -4.041131000000     -0.569211000000      1.186803000000
  C                                                 2.555065000000     -0.110902000000      0.841195000000
  C                                                 3.512909000000      0.020089000000     -0.327512000000
  O                                                 3.916643000000      1.053908000000     -0.793769000000
  O                                                 3.856696000000     -1.186888000000     -0.831471000000
  H                                                -1.108539000000      1.453325000000     -1.601421000000
  H                                                 1.197146000000      1.626236000000     -0.780243000000
  H                                                 0.758326000000     -2.121930000000      1.230081000000
  H                                                -1.550996000000     -2.291094000000      0.409882000000
  H                                                -3.207271000000     -1.558295000000     -1.263900000000
  H                                                -3.023252000000     -0.023303000000     -2.093508000000
  H                                                -4.956106000000     -0.021345000000     -0.661200000000
  H                                                -3.767687000000      2.144305000000     -0.969553000000
  H                                                -2.833997000000      1.845956000000      0.498551000000
  H                                                -4.580691000000      2.067606000000      0.595584000000
  H                                                -3.105962000000     -0.437299000000      1.734311000000
  H                                                -4.217867000000     -1.641741000000      1.078812000000
  H                                                -4.845765000000     -0.157244000000      1.799012000000
  H                                                 2.793783000000     -1.046687000000      1.348092000000
  C                                                 2.714984000000      1.060322000000      1.812332000000
  H                                                 4.422318000000     -1.021428000000     -1.602212000000
  H                                                 2.519413000000      2.006373000000      1.310475000000
  H                                                 3.727494000000      1.097018000000      2.216623000000
  H                                                 2.011507000000      0.951447000000      2.637725000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     33 NQM=       33 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          16          16           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1          12           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           0           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000

  Atom        31          32          33
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Wed Sep  8 12:29:38 2021, MaxMem=  6442450944 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.709910    0.670807   -0.967581
      2          6           0       -1.514787   -0.421985   -0.641507
      3          6           0        0.592878    0.771936   -0.502207
      4          6           0        1.137615   -0.225982    0.304676
      5          6           0        0.347678   -1.327177    0.619024
      6          6           0       -0.957714   -1.421755    0.154368
      7          6           0       -2.940864   -0.508394   -1.117499
      8          6           0       -3.987455    0.128199   -0.171742
      9          6           0       -3.779028    1.632708   -0.004548
     10          6           0       -4.041131   -0.569211    1.186803
     11          6           0        2.555065   -0.110902    0.841195
     12          6           0        3.512909    0.020089   -0.327512
     13          8           0        3.916643    1.053908   -0.793769
     14          8           0        3.856696   -1.186888   -0.831471
     15          1           0       -1.108539    1.453325   -1.601421
     16          1           0        1.197146    1.626236   -0.780243
     17          1           0        0.758326   -2.121930    1.230081
     18          1           0       -1.550996   -2.291094    0.409882
     19          1           0       -3.207271   -1.558295   -1.263900
     20          1           0       -3.023252   -0.023303   -2.093508
     21          1           0       -4.956106   -0.021345   -0.661200
     22          1           0       -3.767687    2.144305   -0.969553
     23          1           0       -2.833997    1.845956    0.498551
     24          1           0       -4.580691    2.067606    0.595584
     25          1           0       -3.105962   -0.437299    1.734311
     26          1           0       -4.217867   -1.641741    1.078812
     27          1           0       -4.845765   -0.157244    1.799012
     28          1           0        2.793783   -1.046687    1.348092
     29          6           0        2.714984    1.060322    1.812332
     30          1           0        4.422318   -1.021428   -1.602212
     31          1           0        2.519413    2.006373    1.310475
     32          1           0        3.727494    1.097018    2.216623
     33          1           0        2.011507    0.951447    2.637725
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.395832   0.000000
     3  C    1.387104   2.426335   0.000000
     4  C    2.415826   2.822927   1.394145   0.000000
     5  C    2.761838   2.424270   2.392396   1.391203   0.000000
     6  C    2.387256   1.394018   2.765449   2.417203   1.388848
     7  C    2.527874   1.505899   3.808564   4.328548   3.807943
     8  C    3.416151   2.576329   4.637139   5.159337   4.640777
     9  C    3.357405   3.123182   4.483543   5.265333   5.116587
    10  C    4.156447   3.121988   5.111308   5.264538   4.489825
    11  C    3.813503   4.342680   2.536594   1.519954   2.530068
    12  C    4.320338   5.056852   3.020327   2.470270   3.567877
    13  O    4.645640   5.630442   3.348422   3.250799   4.516975
    14  O    4.931881   5.428996   3.820722   3.099608   3.799582
    15  H    1.083048   2.145521   2.137143   3.390942   3.844754
    16  H    2.141215   3.401329   1.082715   2.147395   3.376713
    17  H    3.845103   3.399955   3.376782   2.143561   1.083353
    18  H    3.373083   2.144831   3.848409   3.391811   2.139589
    19  H    3.360582   2.131449   4.522310   4.807653   4.029452
    20  H    2.664780   2.131366   4.030017   4.806785   4.518970
    21  H    4.313134   3.464618   5.607655   6.173186   5.610196
    22  H    3.394289   3.430600   4.595251   5.594990   5.613465
    23  H    2.835889   2.860700   3.728070   4.483773   4.495147
    24  H    4.401986   4.138626   5.445156   6.167998   5.984473
    25  H    3.777457   2.859473   4.488394   4.482907   3.736760
    26  H    4.673475   3.428402   5.609699   5.593286   4.599408
    27  H    5.044304   4.137830   5.978112   6.167544   5.452794
    28  H    4.537399   4.786704   3.402202   2.122538   2.567809
    29  C    4.428266   5.109748   3.153346   2.532923   3.567671
    30  H    5.441156   6.044130   4.369299   3.880494   4.650813
    31  H    4.171547   5.097247   2.919107   2.811478   4.038204
    32  H    5.478263   6.160989   4.162155   3.480423   4.455581
    33  H    4.525826   5.007437   3.450204   2.755566   3.469237
                    6          7          8          9         10
     6  C    0.000000
     7  C    2.526808   0.000000
     8  C    3.418777   1.547598   0.000000
     9  C    4.161107   2.554505   1.528052   0.000000
    10  C    3.361579   2.554231   1.528040   2.517233   0.000000
    11  C    3.811782   5.848052   6.624785   6.623911   6.621125
    12  C    4.722033   6.523386   7.502760   7.475105   7.726833
    13  O    5.548624   7.040667   7.982394   7.757656   8.359626
    14  O    4.919917   6.837323   7.980940   8.181577   8.175000
    15  H    3.372184   2.727625   3.476794   3.116680   4.523819
    16  H    3.848008   4.668352   5.430882   5.036274   6.010724
    17  H    2.142941   4.668901   5.436049   6.017408   5.044561
    18  H    1.083061   2.728121   3.482470   4.531236   3.125581
    19  H    2.662824   1.093022   2.155402   3.477840   2.771201
    20  H    3.357836   1.093021   2.155418   2.770798   3.477720
    21  H    4.314329   2.122881   1.095544   2.133681   2.133647
    22  H    4.677171   2.782505   2.179331   1.092289   3.476753
    23  H    3.783759   2.857622   2.174959   1.091635   2.786377
    24  H    5.049384   3.501351   2.168414   1.091768   2.755625
    25  H    2.842594   2.857470   2.174823   2.785961   1.091653
    26  H    3.395819   2.781905   2.179372   3.476818   1.092345
    27  H    4.406902   3.501141   2.168420   2.755846   1.091766
    28  H    3.954666   6.265387   7.048081   7.225693   6.853470
    29  C    4.732680   6.559984   7.051815   6.767634   6.977948
    30  H    5.673674   7.396932   8.607681   8.766929   8.922616
    31  H    5.017874   6.483343   6.932809   6.445097   7.049090
    32  H    5.705111   7.626317   8.134085   7.846556   8.011765
    33  H    4.540421   6.384264   6.675207   6.401251   6.407184
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.516740   0.000000
    13  O    2.425651   1.203818   0.000000
    14  O    2.376931   1.352390   2.241915   0.000000
    15  H    4.672812   5.003478   5.105320   5.676011   0.000000
    16  H    2.736906   2.854371   2.779102   3.871627   2.453653
    17  H    2.724654   3.821265   4.914965   3.837212   4.927985
    18  H    4.668940   5.615020   6.521724   5.657151   4.273381
    19  H    6.303244   6.966271   7.602288   7.086929   3.686252
    20  H    6.303791   6.770674   7.142258   7.090864   2.467530
    21  H    7.660477   8.475688   8.938647   8.891173   4.226398
    22  H    6.952838   7.611280   7.763298   8.321486   2.819180
    23  H    5.743578   6.655778   6.918712   7.465419   2.746133
    24  H    7.464934   8.399452   8.669635   9.155202   4.154517
    25  H    5.740333   6.947645   7.611299   7.458132   4.323340
    26  H    6.947844   8.031458   8.771735   8.309912   5.141109
    27  H    7.462697   8.626760   9.217874   9.149450   5.303182
    28  H    1.090699   2.112534   3.203261   2.428978   5.493433
    29  C    1.529852   2.509522   2.869806   3.652828   5.140767
    30  H    3.207168   1.880596   2.283924   0.970230   6.059272
    31  H    2.168951   2.759594   2.699497   4.071016   4.684766
    32  H    2.173813   2.771001   3.016637   3.811010   6.171842
    33  H    2.156748   3.451705   3.926219   4.473536   5.287431
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.275829   0.000000
    18  H    4.930939   2.456483   0.000000
    19  H    5.456560   4.718430   2.466128   0.000000
    20  H    4.717775   5.454430   3.684749   1.754512   0.000000
    21  H    6.371123   6.375275   4.230101   2.404971   2.405709
    22  H    4.995378   6.597268   5.146778   3.756322   2.552642
    23  H    4.234821   5.402225   4.332336   3.851557   3.201362
    24  H    5.955763   6.816150   5.311478   4.300130   3.745495
    25  H    5.394247   4.245580   2.758367   3.202525   3.851030
    26  H    6.592278   5.001596   2.825124   2.552757   3.756336
    27  H    6.808093   5.965694   4.163953   3.745536   4.300140
    28  H    3.771416   2.305029   4.615831   6.564822   6.835921
    29  C    3.057047   3.780774   5.603342   7.168923   7.025467
    30  H    4.252939   4.760024   6.429701   7.655933   7.528223
    31  H    2.502798   4.488962   5.987280   7.220054   6.813796
    32  H    3.957769   4.488970   6.527333   8.200957   8.087331
    33  H    3.577853   3.605214   5.307427   6.982630   6.977356
                   21         22         23         24         25
    21  H    0.000000
    22  H    2.489470   0.000000
    23  H    3.055353   1.765253   0.000000
    24  H    2.466609   1.765365   1.763373   0.000000
    25  H    3.055245   3.796504   2.610425   3.121870   0.000000
    26  H    2.489643   4.328118   3.796818   3.758245   1.765416
    27  H    2.466432   3.758235   3.122694   2.543317   1.763386
    28  H    8.071515   7.655508   6.384435   8.040395   5.943695
    29  C    8.132280   7.137151   5.756252   7.464715   6.011021
    30  H    9.478423   8.803312   8.080173   9.768654   8.255216
    31  H    7.992655   6.689184   5.417006   7.136266   6.147846
    32  H    9.216155   8.211350   6.823917   8.520314   7.020176
    33  H    7.770255   6.916245   5.371696   6.990939   5.378965
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.765411   0.000000
    28  H    7.042005   7.704358   0.000000
    29  C    7.476872   7.658170   2.158985   0.000000
    30  H    9.067826   9.910222   3.370023   4.348308   0.000000
    31  H    7.665073   7.691928   3.065594   1.088633   4.612198
    32  H    8.480812   8.674580   2.494320   1.090859   4.422001
    33  H    6.925311   6.996772   2.503527   1.089957   5.261303
                   31         32         33
    31  H    0.000000
    32  H    1.762808   0.000000
    33  H    1.769867   1.772887   0.000000
 Stoichiometry    C13H18O2
 Framework group  C1[X(C13H18O2)]
 Deg. of freedom    93
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 2.07D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.709910    0.670807   -0.967581
      2          6           0       -1.514787   -0.421985   -0.641507
      3          6           0        0.592878    0.771936   -0.502207
      4          6           0        1.137615   -0.225982    0.304676
      5          6           0        0.347678   -1.327177    0.619024
      6          6           0       -0.957714   -1.421755    0.154368
      7          6           0       -2.940864   -0.508394   -1.117499
      8          6           0       -3.987455    0.128199   -0.171742
      9          6           0       -3.779028    1.632708   -0.004548
     10          6           0       -4.041131   -0.569211    1.186803
     11          6           0        2.555065   -0.110902    0.841195
     12          6           0        3.512909    0.020089   -0.327512
     13          8           0        3.916643    1.053908   -0.793769
     14          8           0        3.856696   -1.186888   -0.831471
     15          1           0       -1.108539    1.453325   -1.601421
     16          1           0        1.197146    1.626236   -0.780243
     17          1           0        0.758326   -2.121930    1.230081
     18          1           0       -1.550996   -2.291094    0.409882
     19          1           0       -3.207271   -1.558295   -1.263900
     20          1           0       -3.023252   -0.023303   -2.093508
     21          1           0       -4.956106   -0.021345   -0.661200
     22          1           0       -3.767687    2.144305   -0.969553
     23          1           0       -2.833997    1.845956    0.498551
     24          1           0       -4.580691    2.067606    0.595584
     25          1           0       -3.105962   -0.437299    1.734311
     26          1           0       -4.217867   -1.641741    1.078812
     27          1           0       -4.845765   -0.157244    1.799012
     28          1           0        2.793783   -1.046687    1.348092
     29          6           0        2.714984    1.060322    1.812332
     30          1           0        4.422318   -1.021428   -1.602212
     31          1           0        2.519413    2.006373    1.310475
     32          1           0        3.727494    1.097018    2.216623
     33          1           0        2.011507    0.951447    2.637725
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.4017426           0.2678143           0.2638389
 Leave Link  202 at Wed Sep  8 12:29:38 2021, MaxMem=  6442450944 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      15     16     17     18     19     20     21     22     23     24
 Centers:      25     26     27     28     30     31     32     33
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     10
 Centers:      11     12     29
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      13     14
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   480 symmetry adapted cartesian basis functions of A   symmetry.
 There are   450 symmetry adapted basis functions of A   symmetry.
   450 basis functions,   666 primitive gaussians,   480 cartesian basis functions
    56 alpha electrons       56 beta electrons
       nuclear repulsion energy       981.3510194734 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   33 NActive=   33 NUniq=   33 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0249546239 Hartrees.
 Nuclear repulsion after empirical dispersion term =      981.3260648495 Hartrees.
 Leave Link  301 at Wed Sep  8 12:29:39 2021, MaxMem=  6442450944 cpu:               7.0 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   450 RedAO= T EigKep=  3.86D-06  NBF=   450
 NBsUse=   450 1.00D-06 EigRej= -1.00D+00 NBFU=   450
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   478   478   478   478   478 MxSgAt=    33 MxSgA2=    33.
 Leave Link  302 at Wed Sep  8 12:29:41 2021, MaxMem=  6442450944 cpu:               7.7 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Wed Sep  8 12:29:41 2021, MaxMem=  6442450944 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "30_ibuprofen_conformer05_STD_wB97XD_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Wed Sep  8 12:29:42 2021, MaxMem=  6442450944 cpu:               7.5 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6441981585 LenY=  6441750705
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -656.060643779002    
 DIIS: error= 2.90D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -656.060643779002     IErMin= 1 ErrMin= 2.90D-03
 ErrMax= 2.90D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.59D-02 BMatP= 1.59D-02
 IDIUse=3 WtCom= 9.71D-01 WtEn= 2.90D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.364 Goal=   None    Shift=    0.000
 GapD=    0.364 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=8.28D-03 MaxDP=4.07D-01              OVMax= 1.31D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  7.63D-03    CP:  1.09D+00
 E= -656.073437229250     Delta-E=       -0.012793450248 Rises=F Damp=F
 DIIS: error= 5.62D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -656.073437229250     IErMin= 2 ErrMin= 5.62D-04
 ErrMax= 5.62D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.40D-04 BMatP= 1.59D-02
 IDIUse=3 WtCom= 9.94D-01 WtEn= 5.62D-03
 Coeff-Com: -0.194D-01 0.102D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.193D-01 0.102D+01
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=1.57D-03 MaxDP=7.24D-02 DE=-1.28D-02 OVMax= 6.59D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  6.39D-04    CP:  1.12D+00  1.09D+00
 E= -656.073869595209     Delta-E=       -0.000432365959 Rises=F Damp=F
 DIIS: error= 6.96D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -656.073869595209     IErMin= 2 ErrMin= 5.62D-04
 ErrMax= 6.96D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.06D-04 BMatP= 4.40D-04
 IDIUse=3 WtCom= 9.93D-01 WtEn= 6.96D-03
 Coeff-Com: -0.436D-01 0.466D+00 0.578D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.433D-01 0.462D+00 0.581D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=1.07D-04 MaxDP=4.61D-03 DE=-4.32D-04 OVMax= 2.43D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  9.14D-05    CP:  1.12D+00  1.10D+00  1.03D+00
 E= -656.074084526885     Delta-E=       -0.000214931676 Rises=F Damp=F
 DIIS: error= 9.94D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -656.074084526885     IErMin= 4 ErrMin= 9.94D-05
 ErrMax= 9.94D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.40D-06 BMatP= 3.06D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.116D-01 0.604D-01 0.149D+00 0.802D+00
 Coeff:     -0.116D-01 0.604D-01 0.149D+00 0.802D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=4.34D-05 MaxDP=2.22D-03 DE=-2.15D-04 OVMax= 7.19D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.24D-05    CP:  1.12D+00  1.10D+00  1.06D+00  1.19D+00
 E= -656.074092644663     Delta-E=       -0.000008117777 Rises=F Damp=F
 DIIS: error= 6.05D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -656.074092644663     IErMin= 5 ErrMin= 6.05D-05
 ErrMax= 6.05D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.97D-06 BMatP= 9.40D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.119D-02-0.345D-01-0.274D-01 0.309D+00 0.751D+00
 Coeff:      0.119D-02-0.345D-01-0.274D-01 0.309D+00 0.751D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=2.21D-05 MaxDP=9.14D-04 DE=-8.12D-06 OVMax= 3.01D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.17D-05    CP:  1.13D+00  1.10D+00  1.08D+00  1.18D+00  9.68D-01
 E= -656.074094562439     Delta-E=       -0.000001917776 Rises=F Damp=F
 DIIS: error= 1.02D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -656.074094562439     IErMin= 6 ErrMin= 1.02D-05
 ErrMax= 1.02D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.94D-08 BMatP= 1.97D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.872D-03-0.143D-01-0.156D-01 0.701D-01 0.255D+00 0.704D+00
 Coeff:      0.872D-03-0.143D-01-0.156D-01 0.701D-01 0.255D+00 0.704D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=4.63D-06 MaxDP=2.07D-04 DE=-1.92D-06 OVMax= 8.69D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.23D-06    CP:  1.12D+00  1.10D+00  1.08D+00  1.19D+00  9.93D-01
                    CP:  9.52D-01
 E= -656.074094641729     Delta-E=       -0.000000079290 Rises=F Damp=F
 DIIS: error= 3.10D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -656.074094641729     IErMin= 7 ErrMin= 3.10D-06
 ErrMax= 3.10D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.24D-08 BMatP= 8.94D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.296D-03-0.308D-02-0.452D-02-0.185D-02 0.391D-01 0.344D+00
 Coeff-Com:  0.626D+00
 Coeff:      0.296D-03-0.308D-02-0.452D-02-0.185D-02 0.391D-01 0.344D+00
 Coeff:      0.626D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=1.81D-06 MaxDP=8.57D-05 DE=-7.93D-08 OVMax= 6.35D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.28D-06    CP:  1.12D+00  1.10D+00  1.08D+00  1.19D+00  9.97D-01
                    CP:  9.99D-01  1.07D+00
 E= -656.074094663896     Delta-E=       -0.000000022168 Rises=F Damp=F
 DIIS: error= 1.28D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -656.074094663896     IErMin= 8 ErrMin= 1.28D-06
 ErrMax= 1.28D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.41D-09 BMatP= 2.24D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.424D-04 0.138D-02 0.121D-02-0.125D-01-0.300D-01-0.187D-01
 Coeff-Com:  0.231D+00 0.828D+00
 Coeff:     -0.424D-04 0.138D-02 0.121D-02-0.125D-01-0.300D-01-0.187D-01
 Coeff:      0.231D+00 0.828D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=9.75D-07 MaxDP=3.93D-05 DE=-2.22D-08 OVMax= 2.24D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.95D-07    CP:  1.12D+00  1.10D+00  1.08D+00  1.19D+00  1.00D+00
                    CP:  1.02D+00  1.13D+00  1.05D+00
 E= -656.074094666460     Delta-E=       -0.000000002563 Rises=F Damp=F
 DIIS: error= 4.65D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -656.074094666460     IErMin= 9 ErrMin= 4.65D-07
 ErrMax= 4.65D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.23D-10 BMatP= 2.41D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.497D-04 0.954D-03 0.999D-03-0.582D-02-0.177D-01-0.444D-01
 Coeff-Com:  0.538D-01 0.377D+00 0.635D+00
 Coeff:     -0.497D-04 0.954D-03 0.999D-03-0.582D-02-0.177D-01-0.444D-01
 Coeff:      0.538D-01 0.377D+00 0.635D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=1.99D-07 MaxDP=8.13D-06 DE=-2.56D-09 OVMax= 7.70D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.42D-07    CP:  1.12D+00  1.10D+00  1.08D+00  1.19D+00  1.00D+00
                    CP:  1.02D+00  1.17D+00  1.00D+00  1.05D+00
 E= -656.074094666949     Delta-E=       -0.000000000489 Rises=F Damp=F
 DIIS: error= 1.25D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -656.074094666949     IErMin=10 ErrMin= 1.25D-07
 ErrMax= 1.25D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.69D-11 BMatP= 3.23D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.985D-05 0.110D-03 0.132D-03-0.125D-03-0.127D-02-0.116D-01
 Coeff-Com: -0.113D-01-0.800D-02 0.194D+00 0.838D+00
 Coeff:     -0.985D-05 0.110D-03 0.132D-03-0.125D-03-0.127D-02-0.116D-01
 Coeff:     -0.113D-01-0.800D-02 0.194D+00 0.838D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=8.16D-08 MaxDP=3.98D-06 DE=-4.89D-10 OVMax= 2.88D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  5.79D-08    CP:  1.12D+00  1.10D+00  1.08D+00  1.19D+00  1.00D+00
                    CP:  1.02D+00  1.16D+00  1.03D+00  1.09D+00  1.02D+00
 E= -656.074094666975     Delta-E=       -0.000000000025 Rises=F Damp=F
 DIIS: error= 5.42D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -656.074094666975     IErMin=11 ErrMin= 5.42D-08
 ErrMax= 5.42D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.03D-12 BMatP= 2.69D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.257D-05-0.813D-04-0.811D-04 0.719D-03 0.187D-02 0.115D-02
 Coeff-Com: -0.101D-01-0.546D-01-0.267D-02 0.324D+00 0.740D+00
 Coeff:      0.257D-05-0.813D-04-0.811D-04 0.719D-03 0.187D-02 0.115D-02
 Coeff:     -0.101D-01-0.546D-01-0.267D-02 0.324D+00 0.740D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=2.79D-08 MaxDP=1.48D-06 DE=-2.55D-11 OVMax= 1.04D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.98D-08    CP:  1.12D+00  1.10D+00  1.08D+00  1.19D+00  1.00D+00
                    CP:  1.02D+00  1.17D+00  1.02D+00  1.12D+00  1.03D+00
                    CP:  9.75D-01
 E= -656.074094666998     Delta-E=       -0.000000000024 Rises=F Damp=F
 DIIS: error= 1.39D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -656.074094666998     IErMin=12 ErrMin= 1.39D-08
 ErrMax= 1.39D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.09D-13 BMatP= 4.03D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.202D-05-0.397D-04-0.418D-04 0.244D-03 0.748D-03 0.177D-02
 Coeff-Com: -0.115D-02-0.163D-01-0.244D-01-0.922D-02 0.236D+00 0.812D+00
 Coeff:      0.202D-05-0.397D-04-0.418D-04 0.244D-03 0.748D-03 0.177D-02
 Coeff:     -0.115D-02-0.163D-01-0.244D-01-0.922D-02 0.236D+00 0.812D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=1.17D-08 MaxDP=3.88D-07 DE=-2.39D-11 OVMax= 4.35D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  8.62D-09    CP:  1.12D+00  1.10D+00  1.08D+00  1.19D+00  1.00D+00
                    CP:  1.02D+00  1.16D+00  1.02D+00  1.13D+00  1.04D+00
                    CP:  1.04D+00  1.01D+00
 E= -656.074094666944     Delta-E=        0.000000000054 Rises=F Damp=F
 DIIS: error= 5.41D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -656.074094666998     IErMin=13 ErrMin= 5.41D-09
 ErrMax= 5.41D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.39D-14 BMatP= 4.09D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.159D-06 0.604D-06 0.711D-06-0.288D-04-0.521D-04 0.195D-03
 Coeff-Com:  0.949D-03 0.273D-02-0.436D-02-0.389D-01-0.387D-01 0.150D+00
 Coeff-Com:  0.928D+00
 Coeff:      0.159D-06 0.604D-06 0.711D-06-0.288D-04-0.521D-04 0.195D-03
 Coeff:      0.949D-03 0.273D-02-0.436D-02-0.389D-01-0.387D-01 0.150D+00
 Coeff:      0.928D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=4.09D-09 MaxDP=1.61D-07 DE= 5.43D-11 OVMax= 2.04D-07

 SCF Done:  E(RwB97XD) =  -656.074094667     A.U. after   13 cycles
            NFock= 13  Conv=0.41D-08     -V/T= 2.0113
 KE= 6.487227551405D+02 PE=-3.485092421449D+03 EE= 1.198969506792D+03
 Leave Link  502 at Wed Sep  8 12:38:16 2021, MaxMem=  6442450944 cpu:            4096.0 elap:             513.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   450
 NBasis=   450 NAE=    56 NBE=    56 NFC=     0 NFV=     0
 NROrb=    450 NOA=    56 NOB=    56 NVA=   394 NVB=   394

 **** Warning!!: The largest alpha MO coefficient is  0.76588061D+02

 Leave Link  801 at Wed Sep  8 12:38:17 2021, MaxMem=  6442450944 cpu:               0.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        10052 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          33
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 3.68D-13 8.33D-09 XBig12= 1.00D+00 4.31D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 3.68D-13 8.33D-09 XBig12= 2.06D-01 7.73D-02.
     11 vectors produced by pass  2 Test12= 3.68D-13 8.33D-09 XBig12= 4.62D-02 9.97D-02.
     11 vectors produced by pass  3 Test12= 3.68D-13 8.33D-09 XBig12= 5.72D-03 2.47D-02.
     11 vectors produced by pass  4 Test12= 3.68D-13 8.33D-09 XBig12= 6.71D-04 8.05D-03.
     11 vectors produced by pass  5 Test12= 3.68D-13 8.33D-09 XBig12= 1.06D-04 1.96D-03.
     11 vectors produced by pass  6 Test12= 3.68D-13 8.33D-09 XBig12= 7.14D-06 5.55D-04.
     11 vectors produced by pass  7 Test12= 3.68D-13 8.33D-09 XBig12= 2.95D-07 7.17D-05.
     11 vectors produced by pass  8 Test12= 3.68D-13 8.33D-09 XBig12= 1.10D-08 1.98D-05.
     11 vectors produced by pass  9 Test12= 3.68D-13 8.33D-09 XBig12= 4.24D-10 4.09D-06.
     11 vectors produced by pass 10 Test12= 3.68D-13 8.33D-09 XBig12= 1.52D-11 5.94D-07.
      8 vectors produced by pass 11 Test12= 3.68D-13 8.33D-09 XBig12= 4.52D-13 8.20D-08.
      1 vectors produced by pass 12 Test12= 3.68D-13 8.33D-09 XBig12= 2.74D-14 1.05D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 8.53D-14
 Solved reduced A of dimension   130 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.208313D+03
      2  0.621684D+01  0.151107D+03
      3  0.772439D+01 -0.873029D+01  0.136333D+03
 Isotropic polarizability for W=    0.088559      165.25 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.186681D+03  0.210569D+02 -0.419949D+02
      2   0.812996D+02 -0.223709D+02 -0.248377D+01
      3   0.105381D+03  0.131398D+01  0.444786D+02
      4   0.295865D+02 -0.104977D+03  0.255987D+02
      5   0.153669D+02  0.283987D+02 -0.935924D+02
      6   0.575506D+01  0.223881D+02  0.261939D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.652772D+01  0.421703D+01 -0.315480D+00
      2  -0.102900D+02  0.894915D+01 -0.490493D+02
      3  -0.345083D+02  0.483959D+02 -0.167246D+02
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.279999D+01  0.248719D+02 -0.248799D+02
      2  -0.573618D+02  0.198437D+02 -0.198974D+03
      3   0.852955D+01  0.186277D+03 -0.226437D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.318774D+01 -0.254299D+01  0.666215D+01
      2  -0.254299D+01 -0.137529D+00 -0.142376D+01
      3   0.666215D+01 -0.142376D+01  0.207752D+01
 OR G Eigenvalues:    -7.9494    -0.8087     7.5104  Iso=     0.4159
 Eigenvectors:
   (1)   0.831374   0.174475  -0.527613
   (2)   0.038886   0.928842   0.368431
   (3)   0.554351  -0.326821   0.765430
 w=    0.088559 a.u., Optical Rotation Beta=      0.4159 au.
 Molar Mass =    206.2840 grams/mole, [Alpha] ( 5145.0 A) =      102.24 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  101475 ScalPx= 4.21D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  101475 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 7.61D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 6.13D-14 2.78D-09 XBig12= 1.00D+00 4.11D-01.
     30 vectors produced by pass  1 Test12= 6.13D-14 2.78D-09 XBig12= 3.87D-02 5.80D-02.
     30 vectors produced by pass  2 Test12= 6.13D-14 2.78D-09 XBig12= 3.13D-03 1.40D-02.
     30 vectors produced by pass  3 Test12= 6.13D-14 2.78D-09 XBig12= 9.33D-05 1.55D-03.
     30 vectors produced by pass  4 Test12= 6.13D-14 2.78D-09 XBig12= 2.03D-06 1.96D-04.
     30 vectors produced by pass  5 Test12= 6.13D-14 2.78D-09 XBig12= 3.17D-08 2.97D-05.
     30 vectors produced by pass  6 Test12= 6.13D-14 2.78D-09 XBig12= 3.96D-10 2.97D-06.
     30 vectors produced by pass  7 Test12= 6.13D-14 2.78D-09 XBig12= 4.57D-12 2.73D-07.
     29 vectors produced by pass  8 Test12= 6.13D-14 2.78D-09 XBig12= 5.10D-14 2.28D-08.
      8 vectors produced by pass  9 Test12= 6.13D-14 2.78D-09 XBig12= 1.07D-14 7.59D-09.
      4 vectors produced by pass 10 Test12= 6.13D-14 2.78D-09 XBig12= 1.11D-14 8.36D-09.
      3 vectors produced by pass 11 Test12= 6.13D-14 2.78D-09 XBig12= 2.33D-14 1.00D-08.
      1 vectors produced by pass 12 Test12= 6.13D-14 2.78D-09 XBig12= 4.77D-15 6.15D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   285 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  101475 ScalPx= 2.03D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  101475 ScalPx= 2.03D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  101475 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.71D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.208313D+03  0.621684D+01  0.772439D+01
      2   0.621684D+01  0.151107D+03 -0.873029D+01
      3   0.772439D+01 -0.873029D+01  0.136333D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.652772D+01  0.421703D+01 -0.315480D+00
      2  -0.102900D+02  0.894915D+01 -0.490493D+02
      3  -0.345083D+02  0.483959D+02 -0.167246D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.186681D+03  0.210569D+02 -0.419949D+02
      2   0.812996D+02 -0.223709D+02 -0.248377D+01
      3   0.105381D+03  0.131398D+01  0.444786D+02
      4   0.295865D+02 -0.104977D+03  0.255987D+02
      5   0.153669D+02  0.283987D+02 -0.935924D+02
      6   0.575506D+01  0.223881D+02  0.261939D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.896470D+01  0.134466D+01  0.234266D+01  0.117269D+02 -0.472449D+00
      2   0.134466D+01 -0.176196D+01  0.109389D-02 -0.472449D+00  0.221697D+01
      3   0.234266D+01  0.109389D-02  0.630227D+00  0.135798D+01  0.851720D+00
                 6             7             8             9            10 
      1   0.135798D+01 -0.520847D+00 -0.174497D+01 -0.287717D-01 -0.286160D+02
      2   0.851720D+00 -0.174497D+01  0.788456D+00  0.855924D+00 -0.352905D-02
      3  -0.714412D+00 -0.287717D-01  0.855924D+00 -0.416765D+01 -0.322169D+01
                11            12            13            14            15 
      1  -0.352905D-02 -0.322169D+01  0.112292D+00 -0.117907D+01 -0.180823D+01
      2  -0.241988D+01  0.800515D+00 -0.117907D+01 -0.170378D+01 -0.350170D+00
      3   0.800515D+00 -0.180346D+01 -0.180823D+01 -0.350170D+00 -0.119350D+01
                16            17            18            19            20 
      1  -0.627693D+01 -0.176911D+01 -0.447661D+01 -0.668110D+01 -0.536943D+00
      2  -0.176911D+01 -0.763478D+00 -0.680732D+00 -0.536943D+00  0.681120D+00
      3  -0.447661D+01 -0.680732D+00 -0.295218D+01 -0.255543D+01 -0.146580D+01
                21            22            23            24            25 
      1  -0.255543D+01  0.913185D+01  0.693098D+00  0.268721D+01 -0.953412D+01
      2  -0.146580D+01  0.693098D+00  0.304097D+01  0.113314D+01 -0.969318D+00
      3   0.207076D+01  0.268721D+01  0.113314D+01  0.757717D+00 -0.453091D+00
                26            27            28            29            30 
      1  -0.969318D+00 -0.453091D+00  0.247628D+02  0.163004D+01  0.458915D+01
      2   0.194337D+01  0.810886D+00  0.163004D+01  0.227568D+01 -0.190431D+00
      3   0.810886D+00 -0.175512D+01  0.458915D+01 -0.190431D+00  0.246021D+01
                31            32            33            34            35 
      1   0.786919D+00  0.983289D+00  0.183151D+01  0.419932D+01  0.219743D+01
      2   0.983289D+00 -0.576018D+00  0.675179D+00  0.219743D+01  0.197782D+01
      3   0.183151D+01  0.675179D+00  0.198880D+01  0.512303D+01  0.896423D+00
                36            37            38            39            40 
      1   0.512303D+01 -0.103385D+02 -0.132116D+01 -0.292037D+01 -0.125442D+02
      2   0.896423D+00 -0.132116D+01  0.352012D+01 -0.130043D-02 -0.735813D+00
      3   0.224151D+01 -0.292037D+01 -0.130043D-02 -0.844349D+00 -0.137925D+01
                41            42            43            44            45 
      1  -0.735813D+00 -0.137925D+01  0.398635D+00  0.182152D+01  0.361294D+00
      2  -0.173744D+01 -0.134857D+01  0.182152D+01 -0.857080D+00 -0.119825D+01
      3  -0.134857D+01  0.556646D-01  0.361294D+00 -0.119825D+01  0.423524D+01
                46            47            48            49            50 
      1   0.753538D+01  0.479034D+00  0.280541D+01 -0.809733D+01  0.583366D+00
      2   0.479034D+00 -0.179767D+01  0.158125D+01  0.583366D+00 -0.229853D+01
      3   0.280541D+01  0.158125D+01 -0.168717D+01 -0.251473D+01 -0.114637D+01
                51            52            53            54            55 
      1  -0.251473D+01  0.111735D+02  0.457169D+00 -0.202778D+00  0.158420D+02
      2  -0.114637D+01  0.457169D+00 -0.356771D+01 -0.123653D+01 -0.165735D+01
      3  -0.983956D+00 -0.202778D+00 -0.123653D+01  0.141329D+01 -0.124890D+01
                56            57            58            59            60 
      1  -0.165735D+01 -0.124890D+01 -0.431980D+01  0.353047D+01  0.135462D+01
      2   0.188012D+01  0.835786D+00  0.353047D+01  0.460807D+01  0.204803D+01
      3   0.835786D+00  0.134109D+01  0.135462D+01  0.204803D+01 -0.266622D+01
                61            62            63            64            65 
      1  -0.462290D+01  0.155997D+01  0.346865D+01 -0.150422D+01  0.295143D+01
      2   0.155997D+01  0.878993D+00 -0.209726D+01  0.295143D+01 -0.109116D+01
      3   0.346865D+01 -0.209726D+01  0.452965D+01  0.538955D+01 -0.735277D+00
                66            67            68            69            70 
      1   0.538955D+01  0.741905D+01 -0.124719D+01 -0.100921D+01  0.131734D+02
      2  -0.735277D+00 -0.124719D+01 -0.441988D+01 -0.712840D+00 -0.168946D+01
      3   0.421306D+00 -0.100921D+01 -0.712840D+00  0.328548D+01  0.422505D+00
                71            72            73            74            75 
      1  -0.168946D+01  0.422505D+00  0.126600D-01 -0.301786D+01 -0.449588D+01
      2  -0.933165D+00  0.335113D+01 -0.301786D+01  0.174680D+01  0.118079D+01
      3   0.335113D+01 -0.141371D+01 -0.449588D+01  0.118079D+01  0.223861D+00
                76            77            78            79            80 
      1  -0.377682D+01  0.971413D+00  0.799431D+00 -0.614470D+01  0.157154D+01
      2   0.971413D+00  0.285665D+01  0.860682D+00  0.157154D+01  0.114399D+01
      3   0.799431D+00  0.860682D+00 -0.342705D+01  0.731496D+00 -0.419198D+01
                81            82            83            84            85 
      1   0.731496D+00  0.354348D-01 -0.194369D+01 -0.486871D+01 -0.293391D+01
      2  -0.419198D+01 -0.194369D+01  0.132076D+01  0.794864D+00  0.170181D+01
      3   0.262002D+01 -0.486871D+01  0.794864D+00  0.795861D+00  0.171491D+01
                86            87            88            89            90 
      1   0.170181D+01  0.171491D+01 -0.587557D+01  0.143721D+01  0.105809D+00
      2   0.599937D+01  0.338471D+00  0.143721D+01  0.122777D+01 -0.281681D+01
      3   0.338471D+00 -0.295739D+01  0.105809D+00 -0.281681D+01  0.762479D+00
                91            92            93            94            95 
      1  -0.355939D+01  0.805794D+00  0.317909D+00 -0.111373D+01 -0.223392D+01
      2   0.805794D+00 -0.116292D+01 -0.386196D+00 -0.223392D+01  0.167867D+01
      3   0.317909D+00 -0.386196D+00 -0.203071D+01 -0.186380D+01 -0.398716D+01
                96            97            98            99           100 
      1  -0.186380D+01  0.456066D+01 -0.132465D+01 -0.483505D+01 -0.252257D+01
      2  -0.398716D+01 -0.132465D+01 -0.319286D+01 -0.561336D+00 -0.209287D+01
      3  -0.207589D+01 -0.483505D+01 -0.561336D+00 -0.862534D+00 -0.635377D-01
               101           102           103           104           105 
      1  -0.209287D+01 -0.635377D-01 -0.452393D+01 -0.212014D+01  0.215123D+01
      2  -0.126586D+01  0.232303D+00 -0.212014D+01 -0.246233D+01  0.234288D+01
      3   0.232303D+00  0.127865D+01  0.215123D+01  0.234288D+01 -0.151589D+01
               106           107           108           109           110 
      1   0.366203D-02  0.912118D+00  0.153625D+01  0.554611D+01  0.366232D+01
      2   0.912118D+00  0.237353D+01 -0.562685D+00  0.366232D+01  0.236817D+01
      3   0.153625D+01 -0.562685D+00 -0.145900D+01 -0.153602D+01 -0.409428D+00
               111           112           113           114           115 
      1  -0.153602D+01  0.884837D+01  0.377219D+01 -0.185528D+01 -0.379025D+01
      2  -0.409428D+00  0.377219D+01  0.797051D+01 -0.161030D+01 -0.106086D+01
      3   0.705596D+00 -0.185528D+01 -0.161030D+01  0.316596D+01  0.180763D+01
               116           117           118           119           120 
      1  -0.106086D+01  0.180763D+01 -0.837346D+00 -0.975943D+00  0.207425D+01
      2  -0.227513D+01  0.224599D+01 -0.975943D+00  0.552325D-01 -0.606335D+00
      3   0.224599D+01 -0.232498D+01  0.207425D+01 -0.606335D+00 -0.273760D+01
               121           122           123           124           125 
      1  -0.465997D+01  0.197334D+01  0.446697D+00  0.273395D+01 -0.876477D+00
      2   0.197334D+01 -0.490694D+01 -0.155596D+01 -0.876477D+00  0.111669D+00
      3   0.446697D+00 -0.155596D+01 -0.128437D+01 -0.291454D+01 -0.461418D+00
               126           127           128           129           130 
      1  -0.291454D+01 -0.172328D+01  0.138413D+01 -0.120295D+01  0.143915D+01
      2  -0.461418D+00  0.138413D+01 -0.100887D+01  0.935683D+00 -0.152316D+01
      3   0.310990D+01 -0.120295D+01  0.935683D+00 -0.123459D+01  0.110193D+01
               131           132           133           134           135 
      1  -0.152316D+01  0.110193D+01 -0.178049D+01  0.153434D+01 -0.120923D+01
      2   0.404865D+01 -0.273358D+01  0.153434D+01 -0.272861D+01  0.212168D+01
      3  -0.273358D+01  0.284180D+01 -0.120923D+01  0.212168D+01 -0.237059D+01
               136           137           138           139           140 
      1   0.296092D+01  0.190718D+01 -0.391467D+00  0.290288D+01  0.257974D+01
      2   0.190718D+01  0.202970D+01 -0.329400D+00  0.257974D+01  0.436650D+01
      3  -0.391467D+00 -0.329400D+00  0.545894D+00 -0.937902D+00 -0.143244D+01
               141           142           143           144           145 
      1  -0.937902D+00 -0.766599D+00 -0.752282D+00  0.412347D+00  0.182034D+01
      2  -0.143244D+01 -0.752282D+00 -0.188727D+01  0.756499D+00 -0.143491D+01
      3   0.125015D+01  0.412347D+00  0.756499D+00 -0.681778D+00  0.141361D+01
               146           147           148           149           150 
      1  -0.143491D+01  0.141361D+01 -0.145447D+01  0.168665D+01 -0.119552D+01
      2   0.137396D+01 -0.112671D+01  0.168665D+01 -0.511593D+01  0.293385D+01
      3  -0.112671D+01  0.131792D+01 -0.119552D+01  0.293385D+01 -0.270302D+01
               151           152           153           154           155 
      1   0.142545D+01 -0.157802D+01  0.112894D+01 -0.304941D+01 -0.235490D+01
      2  -0.157802D+01  0.325514D+01 -0.211579D+01 -0.235490D+01 -0.279916D+01
      3   0.112894D+01 -0.211579D+01  0.193805D+01  0.506615D+00  0.357662D+00
               156           157           158           159           160 
      1   0.506615D+00 -0.299532D+01 -0.310197D+01  0.984328D+00  0.450420D+00
      2   0.357662D+00 -0.310197D+01 -0.580273D+01  0.141317D+01  0.652858D+00
      3  -0.325683D+00  0.984328D+00  0.141317D+01 -0.107497D+01 -0.331368D+00
               161           162           163           164           165 
      1   0.652858D+00 -0.331368D+00 -0.254455D+01 -0.161082D+01 -0.304376D+00
      2   0.199494D+01 -0.699190D+00 -0.161082D+01 -0.152172D+01 -0.673363D+00
      3  -0.699190D+00  0.476487D+00 -0.304376D+00 -0.673363D+00 -0.745836D+00
               166           167           168           169           170 
      1  -0.408063D+01 -0.256699D+01 -0.129435D+01  0.156415D+01 -0.581409D+00
      2  -0.256699D+01 -0.675861D+01 -0.244123D+01 -0.581409D+00 -0.101939D+01
      3  -0.129435D+01 -0.244123D+01 -0.173424D+01 -0.780468D+00 -0.107419D+01
               171           172           173           174           175 
      1  -0.780468D+00 -0.122481D+01  0.697724D+00 -0.110474D+01  0.352604D+01
      2  -0.107419D+01  0.697724D+00 -0.397797D+00  0.232670D-01 -0.904892D+00
      3  -0.135874D+01 -0.110474D+01  0.232670D-01 -0.930711D+00  0.834684D+00
               176           177           178           179           180 
      1  -0.904892D+00  0.834684D+00 -0.216287D+01  0.253932D+00 -0.229552D+01
      2   0.594496D+00 -0.139468D+01  0.253932D+00 -0.108878D+01  0.117388D+01
      3  -0.139468D+01  0.277275D+01 -0.229552D+01  0.117388D+01 -0.795347D+01
               181           182           183           184           185 
      1  -0.106122D+02 -0.106688D+01 -0.355666D+01 -0.193180D+01 -0.152012D+01
      2  -0.106688D+01 -0.117042D+01 -0.171241D+00 -0.152012D+01  0.252984D-01
      3  -0.355666D+01 -0.171241D+00 -0.222766D+01 -0.812309D-01 -0.537314D+00
               186           187           188           189           190 
      1  -0.812309D-01 -0.520673D+01  0.479405D-01 -0.257343D+01 -0.224910D+00
      2  -0.537314D+00  0.479405D-01 -0.623298D+00 -0.706560D+00  0.960856D+00
      3  -0.772341D+00 -0.257343D+01 -0.706560D+00 -0.213699D+01 -0.412982D+00
               191           192           193           194           195 
      1   0.960856D+00 -0.412982D+00  0.104198D+01 -0.602180D+00  0.204928D+00
      2  -0.290866D+00 -0.145943D-01 -0.602180D+00  0.293781D+01 -0.215970D+01
      3  -0.145943D-01 -0.211077D+00  0.204928D+00 -0.215970D+01  0.240592D+01
               196           197           198           199           200 
      1  -0.112361D+01  0.561646D+00 -0.495009D+00  0.583640D+01  0.278264D+00
      2   0.561646D+00 -0.357114D+01  0.311587D+01  0.278264D+00  0.193017D+01
      3  -0.495009D+00  0.311587D+01 -0.518465D+01  0.150717D+01  0.476538D+00
               201           202           203           204           205 
      1   0.150717D+01  0.687850D+00  0.682825D+00  0.243220D+00  0.196759D+01
      2   0.476538D+00  0.682825D+00  0.932045D+00  0.390011D+00  0.282882D+00
      3   0.142120D+01  0.243220D+00  0.390011D+00  0.750512D+00  0.929804D+00
               206           207           208           209           210 
      1   0.282882D+00  0.929804D+00 -0.590590D+01  0.341585D+01  0.247324D+01
      2   0.107766D+01  0.106555D+01  0.341585D+01 -0.313104D+01 -0.124528D+01
      3   0.106555D+01  0.127521D+01  0.247324D+01 -0.124528D+01 -0.177916D+01
               211           212           213           214           215 
      1   0.246147D+01 -0.251114D+01 -0.104760D+01  0.342629D+01 -0.197374D+01
      2  -0.251114D+01  0.253051D+01  0.112063D+01 -0.197374D+01  0.213944D+01
      3  -0.104760D+01  0.112063D+01  0.117531D+01 -0.217142D+01  0.188303D+01
               216           217           218           219           220 
      1  -0.217142D+01  0.727592D+01  0.347104D+00  0.830565D+00  0.273808D+00
      2   0.188303D+01  0.347104D+00  0.789381D+00 -0.141192D+00  0.289583D+00
      3   0.193481D+01  0.830565D+00 -0.141192D+00  0.256960D+01  0.999466D-01
               221           222           223           224           225 
      1   0.289583D+00  0.999466D-01  0.312326D+00 -0.474198D-01  0.167840D+01
      2  -0.374106D+00  0.404505D+00 -0.474198D-01  0.547551D+00  0.163205D+00
      3   0.404505D+00  0.706368D+00  0.167840D+01  0.163205D+00  0.243390D+01
               226           227           228           229           230 
      1  -0.110072D+01 -0.123842D+01  0.662200D+00 -0.202250D+01 -0.204235D+01
      2  -0.123842D+01 -0.140541D+01  0.761356D-01 -0.204235D+01 -0.819885D+01
      3   0.662200D+00  0.761356D-01 -0.411763D+00  0.423866D+00  0.856300D+00
               231           232           233           234           235 
      1   0.423866D+00  0.206481D+00 -0.122862D+00 -0.235532D+00 -0.669187D+01
      2   0.856300D+00 -0.122862D+00 -0.444642D+00 -0.609865D+00  0.897946D+00
      3  -0.131592D+01 -0.235532D+00 -0.609865D+00 -0.972960D-01  0.413037D+01
               236           237           238           239           240 
      1   0.897946D+00  0.413037D+01  0.245318D+01 -0.136765D+01 -0.151263D+01
      2  -0.125429D+01 -0.446012D+00 -0.136765D+01  0.507071D+00  0.792886D+00
      3  -0.446012D+00 -0.324260D+01 -0.151263D+01  0.792886D+00  0.188325D+01
               241           242           243           244           245 
      1   0.384501D+01 -0.568195D+00 -0.329771D+01 -0.195905D+00 -0.157706D+01
      2  -0.568195D+00  0.592461D+00  0.781019D+00 -0.157706D+01  0.823194D+00
      3  -0.329771D+01  0.781019D+00  0.369046D+01  0.384078D+00 -0.375249D+00
               246           247           248           249           250 
      1   0.384078D+00 -0.274380D+01  0.139449D+01 -0.734140D+00  0.707567D+00
      2  -0.375249D+00  0.139449D+01 -0.436501D+01  0.189468D+01 -0.533393D+00
      3   0.729476D+00 -0.734140D+00  0.189468D+01 -0.195008D+01  0.133548D+01
               251           252           253           254           255 
      1  -0.533393D+00  0.133548D+01 -0.674198D+01 -0.142485D+01 -0.566084D+01
      2   0.200959D+01 -0.137938D+01 -0.142485D+01  0.607540D+00 -0.507068D+00
      3  -0.137938D+01  0.241968D+01 -0.566084D+01 -0.507068D+00  0.124013D+01
               256           257           258           259           260 
      1   0.248670D+01  0.219341D+01  0.112255D+01 -0.301593D+01  0.508870D+00
      2   0.219341D+01 -0.138285D+01  0.357336D+01  0.508870D+00  0.339841D+01
      3   0.112255D+01  0.357336D+01  0.249172D+01  0.261568D+01  0.111873D+01
               261           262           263           264           265 
      1   0.261568D+01  0.427567D+01 -0.141237D+01 -0.301509D+01  0.478693D+00
      2   0.111873D+01 -0.141237D+01  0.115539D+01  0.893254D+00  0.487851D+00
      3  -0.760864D+00 -0.301509D+01  0.893254D+00  0.285311D+01 -0.476384D+00
               266           267           268           269           270 
      1   0.487851D+00 -0.476384D+00 -0.416763D+01  0.133459D+01  0.410269D+01
      2  -0.709913D+00 -0.429960D+00  0.133459D+01 -0.152831D+01 -0.149961D+01
      3  -0.429960D+00  0.375487D+00  0.410269D+01 -0.149961D+01 -0.519112D+01
               271           272           273           274           275 
      1   0.238147D+00  0.768367D+00  0.106565D+00  0.150678D+01  0.776775D-01
      2   0.768367D+00 -0.697476D+00 -0.163389D-01  0.776775D-01  0.575218D+01
      3   0.106565D+00 -0.163389D-01 -0.403440D+00  0.248262D+00 -0.462516D+00
               276           277           278           279           280 
      1   0.248262D+00 -0.848476D+00 -0.153796D+00 -0.531579D+00  0.107598D+02
      2  -0.462516D+00 -0.153796D+00 -0.200257D+01  0.292938D+00  0.197362D+01
      3   0.132824D+01 -0.531579D+00  0.292938D+00 -0.120293D+01  0.490794D+01
               281           282           283           284           285 
      1   0.197362D+01  0.490794D+01  0.445063D+00  0.104804D+01  0.224415D+00
      2   0.154846D+01  0.123974D+01  0.104804D+01  0.592714D+00  0.342869D+00
      3   0.123974D+01  0.343488D+01  0.224415D+00  0.342869D+00 -0.120371D+00
               286           287           288           289           290 
      1   0.358396D+01  0.695032D+00  0.264957D+01 -0.179158D+01  0.165245D+00
      2   0.695032D+00  0.305145D+00  0.622113D+00  0.165245D+00 -0.929287D+00
      3   0.264957D+01  0.622113D+00  0.274842D+01  0.211836D+01 -0.587665D+00
               291           292           293           294           295 
      1   0.211836D+01 -0.530806D+00 -0.520206D+00 -0.121476D+00  0.210518D+01
      2  -0.587665D+00 -0.520206D+00  0.154436D+00  0.330429D+00 -0.830841D-01
      3  -0.342396D+01 -0.121476D+00  0.330429D+00 -0.745506D+00 -0.157748D+01
               296           297 
      1  -0.830841D-01 -0.157748D+01
      2   0.717506D+00  0.636708D+00
      3   0.636708D+00  0.604451D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.802357D+00  0.333561D+01 -0.505246D+00  0.520943D+01  0.852191D+00
      2   0.464853D+01 -0.419580D+01  0.429376D+01 -0.109783D+01 -0.562664D+01
      3  -0.131817D+02 -0.725589D+01  0.255915D+01 -0.118656D+01 -0.238752D+01
                 6             7             8             9            10 
      1  -0.177101D+01  0.526396D+01  0.254733D+01  0.105891D+01 -0.405498D+01
      2   0.212263D+01 -0.111038D+02 -0.345958D+01  0.777076D+00 -0.707819D+01
      3   0.140829D+01  0.560545D+01  0.107919D+01 -0.489260D+00  0.186487D+02
                11            12            13            14            15 
      1  -0.238540D+01  0.625084D+00 -0.907675D+01  0.467110D+01 -0.180743D+01
      2   0.137532D+01 -0.232236D+01  0.699450D+01  0.422748D+01 -0.181477D+01
      3   0.141200D+01  0.142293D+01  0.192159D+02  0.228071D+01  0.159495D+01
                16            17            18            19            20 
      1   0.278509D+01  0.659599D+01 -0.534189D+01  0.824115D-01 -0.822269D+00
      2  -0.143504D+02 -0.172151D+01 -0.205444D-02  0.470128D+01 -0.572407D+00
      3  -0.191332D+01  0.169367D+01  0.101412D+01  0.624665D+01 -0.410375D+01
                21            22            23            24            25 
      1   0.188382D+00 -0.187933D+01 -0.197035D+01 -0.271651D+01 -0.654649D+01
      2   0.126379D+01 -0.607981D+01  0.216312D+01 -0.977473D+00 -0.104362D+02
      3   0.270349D+01 -0.117211D+01  0.856855D+00 -0.138430D+01  0.959073D+01
                26            27            28            29            30 
      1   0.176176D+01 -0.420840D+01  0.201709D+01 -0.455205D+01  0.346758D+01
      2   0.172935D+01 -0.283389D+01  0.498815D+01  0.201301D+01  0.508860D-01
      3  -0.182253D+01  0.480893D+01 -0.142918D+02  0.479409D+00 -0.410805D+01
                31            32            33            34            35 
      1  -0.663490D+01  0.400245D+01 -0.140093D+01  0.751168D+01  0.694689D+01
      2   0.540352D+01  0.460754D+01  0.134575D+01 -0.941844D+01 -0.918515D+00
      3   0.209553D+02  0.369883D+01  0.169160D+01 -0.857168D+01  0.110787D+01
                36            37            38            39            40 
      1  -0.190609D+01 -0.343063D+01  0.106779D+01 -0.123237D+01  0.806865D+00
      2  -0.488164D+01  0.718043D+00 -0.404719D+01  0.384858D+01 -0.118274D+01
      3  -0.606725D+01  0.468277D+01 -0.432785D+01  0.531247D+01  0.129713D+02
                41            42            43            44            45 
      1   0.573759D+00 -0.180810D+01  0.368771D+01  0.121176D+01  0.451843D+01
      2  -0.438075D+01  0.623138D-02 -0.984582D+01 -0.334438D+01  0.896164D+00
      3  -0.344847D+00  0.367885D+01  0.498132D+01  0.597509D+00  0.609506D+00
                46            47            48            49            50 
      1   0.478780D+01  0.132760D+01 -0.172109D+01 -0.479158D+01 -0.652667D+00
      2   0.638781D+01 -0.121649D+01  0.153248D+01 -0.770749D+01  0.224150D+01
      3  -0.670302D+01 -0.369511D+01 -0.186496D+01  0.930547D+01 -0.318778D+00
                51            52            53            54            55 
      1  -0.345578D+01 -0.646040D+01  0.240227D+01 -0.164211D+01  0.255855D+01
      2  -0.269747D+00 -0.663078D+01  0.296542D+01 -0.297637D+01  0.213127D+02
      3   0.147279D+01 -0.587277D+01 -0.353912D+01  0.137218D+01 -0.154272D+02
                56            57            58            59            60 
      1  -0.401598D+00 -0.130123D+01 -0.354219D+01 -0.640098D+01 -0.659271D+01
      2  -0.458047D+01 -0.302869D+01 -0.951237D+01 -0.826051D+00  0.109219D+02
      3   0.466828D+01  0.329334D+01  0.226129D+02  0.133023D+02  0.624416D+01
                61            62            63            64            65 
      1  -0.165277D+01 -0.117202D+01  0.693443D+01 -0.229783D+01 -0.117196D+00
      2  -0.255359D+02  0.104225D+02 -0.105822D+02 -0.317518D+02  0.445614D+01
      3   0.829323D+01  0.241715D+01 -0.110066D+02  0.182916D+02 -0.827806D+01
                66            67            68            69            70 
      1   0.414321D+00  0.425317D+01  0.509711D+00 -0.394577D+01 -0.247357D+00
      2   0.279445D+01  0.108756D+02  0.730708D+00 -0.136332D+02  0.462602D+01
      3  -0.268202D+01 -0.357037D+01 -0.187363D+02 -0.389931D+01 -0.117571D+02
                71            72            73            74            75 
      1   0.343595D+01 -0.514067D+00  0.878623D+01 -0.259329D+01 -0.871118D+00
      2  -0.150031D+02  0.641679D+01  0.194759D+02 -0.418613D+01  0.855858D+00
      3  -0.445545D+01  0.153973D+02 -0.163274D+02 -0.291637D+01 -0.420771D+01
                76            77            78            79            80 
      1  -0.185957D+01 -0.246589D+01  0.595775D+01 -0.293033D+01  0.124005D+02
      2  -0.373527D+01 -0.308673D+01  0.133365D+02 -0.529245D+01  0.163880D+02
      3  -0.212333D+01  0.151234D+02  0.545408D+01 -0.463205D+01  0.792157D+01
                81            82            83            84            85 
      1  -0.584012D+01 -0.526226D+01  0.276807D+01  0.228013D+01  0.494948D+01
      2  -0.101820D+02  0.245248D+02 -0.230549D+01  0.764780D+01 -0.501511D+01
      3  -0.165060D+02 -0.790716D+01  0.480605D+01  0.795390D+01  0.109100D+02
                86            87            88            89            90 
      1   0.110287D+02 -0.464381D+01  0.308247D+01  0.148946D+01 -0.414919D+01
      2  -0.305982D+01  0.109918D+02  0.607930D+01  0.107554D+02 -0.415692D+01
      3   0.247197D+02  0.640464D+00  0.113639D+02  0.473629D+01 -0.127632D+02
                91            92            93            94            95 
      1  -0.158434D+01 -0.192494D+01 -0.292177D+00 -0.525664D+01  0.174549D+01
      2   0.108532D+02 -0.898434D+00 -0.659302D+00 -0.366636D+01 -0.101151D+02
      3  -0.123226D+01 -0.130563D+01  0.101365D+01  0.138625D+02 -0.595499D+01
                96            97            98            99           100 
      1  -0.827770D+01  0.135877D+01  0.172970D+00  0.857321D-01  0.200377D+01
      2  -0.376021D+01 -0.284532D+02 -0.164821D+01  0.689260D+00 -0.214391D+02
      3   0.134972D+02  0.343020D+01  0.111035D+02  0.297377D+01  0.506018D+01
               101           102           103           104           105 
      1   0.603095D+01  0.244816D+01  0.355144D+01  0.201571D+01  0.529744D+01
      2   0.272863D+01  0.751534D+01  0.912970D+01  0.810523D+01 -0.745328D+01
      3   0.116809D+01 -0.127844D+01  0.671017D+01  0.126496D+02 -0.976842D+01
               106           107           108           109           110 
      1  -0.925093D+00  0.466403D+01  0.850144D-01 -0.138802D+01 -0.294872D+01
      2  -0.176876D+01 -0.285525D+01  0.740065D+01  0.852613D+00 -0.127015D+01
      3  -0.906427D+00 -0.170078D+02  0.792539D+00 -0.102046D+02 -0.114582D+02
               111           112           113           114           115 
      1  -0.309401D+01 -0.173498D+00 -0.541884D+01 -0.724087D+01 -0.829668D+00
      2   0.562586D+01 -0.912067D+01 -0.745714D+01  0.133327D+02  0.640385D+01
      3   0.138586D+01 -0.513720D+01 -0.330279D+02  0.550978D+01 -0.763019D+00
               116           117           118           119           120 
      1   0.321496D+01  0.148889D+01  0.285320D+01 -0.938171D+00 -0.110381D+01
      2   0.905071D+01 -0.125398D+02  0.941299D+01 -0.351558D+01 -0.692104D+01
      3   0.117664D+02 -0.838748D+01  0.444133D+01 -0.225014D+01  0.320148D+00
               121           122           123           124           125 
      1   0.270692D+01  0.358801D+01 -0.698983D+01 -0.218081D+01  0.165328D+01
      2   0.206064D+01 -0.484053D+01 -0.601080D+01 -0.949279D+01 -0.237850D+01
      3  -0.369918D-01  0.193410D+02  0.383085D+01  0.262539D+01  0.157216D+01
               126           127           128           129           130 
      1   0.285945D+01 -0.841018D+00  0.934169D+00  0.101235D+01  0.128777D+01
      2   0.880972D+01 -0.296143D+01  0.104853D+01 -0.750170D-01  0.217549D+01
      3   0.491922D+01 -0.289380D+01  0.552098D+00 -0.493172D+00  0.238089D+01
               131           132           133           134           135 
      1  -0.328541D+01 -0.135649D+01 -0.136327D+01  0.388227D+01 -0.180557D+00
      2   0.361965D+00 -0.176981D+01 -0.377551D+01  0.357016D+00  0.999465D+00
      3   0.147352D+01 -0.661368D+00 -0.225711D+01 -0.858899D+00  0.217913D+00
               136           137           138           139           140 
      1  -0.153221D+01 -0.239452D+01 -0.163858D+01 -0.115733D+01 -0.160403D+01
      2   0.315840D+01  0.165462D+01  0.729391D+00  0.274872D+01  0.137781D+01
      3   0.474430D+01  0.378114D+00 -0.356146D+00  0.509738D+01 -0.104597D+01
               141           142           143           144           145 
      1  -0.265854D+01 -0.212528D+00  0.179052D+01  0.545641D-01  0.164361D+01
      2   0.127125D+01 -0.912624D+00 -0.419541D+00 -0.661420D+00 -0.115939D+01
      3  -0.136746D+00  0.383667D+00  0.124385D+01  0.186792D+00 -0.426186D+01
               146           147           148           149           150 
      1  -0.494232D+00  0.270907D+01 -0.743086D+00  0.403988D+00 -0.450219D+01
      2   0.185716D+00  0.398883D+00  0.991459D+00  0.625177D+00 -0.190418D+01
      3   0.990814D+00 -0.187689D+01  0.355030D+01  0.782787D-01  0.829374D+00
               151           152           153           154           155 
      1   0.511079D+00  0.130645D+01  0.201812D+01  0.652754D+00 -0.679401D+00
      2  -0.245476D+01 -0.385978D-01  0.666737D+00  0.132142D+01  0.600938D+00
      3  -0.333879D+01  0.690784D+00 -0.116938D+01  0.612783D+01  0.566448D+00
               156           157           158           159           160 
      1  -0.193525D+01  0.176462D+01  0.159594D+01 -0.395754D+01 -0.165209D+00
      2   0.959763D+00  0.176311D+00  0.150101D+00  0.179851D+01 -0.108927D+01
      3  -0.822378D+00  0.554067D+01 -0.130034D+01 -0.591386D+00  0.168691D+00
               161           162           163           164           165 
      1   0.786492D+00  0.886010D+00  0.192946D+01  0.184112D+01 -0.167314D+00
      2   0.134312D+00 -0.617801D+00 -0.306204D+01 -0.199250D+00  0.309545D+01
      3   0.129716D+01 -0.625218D-01 -0.432510D+01 -0.516106D+01 -0.194222D+01
               166           167           168           169           170 
      1   0.246235D+01  0.870479D+01 -0.544858D+00  0.551996D+00  0.176979D+01
      2  -0.144266D+01  0.360082D+01  0.432089D+01  0.258577D+01  0.207645D+01
      3  -0.254953D+01 -0.207713D+02 -0.722458D+01 -0.322258D+01 -0.308165D+01
               171           172           173           174           175 
      1   0.489461D-01 -0.170071D+01  0.867324D+00 -0.452704D+00  0.153368D+01
      2   0.346340D+01  0.242515D+01  0.587446D+00  0.258614D+01  0.246869D+01
      3  -0.260756D+01  0.428142D+01 -0.307897D+01  0.100907D+01 -0.351510D+01
               176           177           178           179           180 
      1  -0.248033D+01  0.266958D+01 -0.164751D+01  0.528602D+01 -0.632694D+01
      2   0.311436D+01 -0.830110D+01  0.191928D+01 -0.333369D+01  0.226968D+02
      3   0.232750D+01 -0.530889D+01  0.188591D+01 -0.431992D+01  0.642331D+01
               181           182           183           184           185 
      1   0.333215D+00  0.110950D+01 -0.237962D-01  0.238218D+00  0.575222D-01
      2   0.878118D+01  0.392752D-02  0.107560D+02 -0.124299D+01  0.144803D+01
      3  -0.375025D+01 -0.809631D+01 -0.334668D+00 -0.470176D+01  0.606595D+00
               186           187           188           189           190 
      1  -0.678698D+00 -0.730734D-01  0.151364D+01  0.257077D+00  0.452538D+00
      2   0.368940D+01  0.568407D+01  0.353987D+01  0.817241D+01  0.174282D+01
      3  -0.217933D+01  0.139861D+01 -0.326482D+01 -0.322025D+01  0.506364D+01
               191           192           193           194           195 
      1   0.758860D-01  0.101672D+00 -0.155643D+00  0.305272D+01 -0.648019D+01
      2   0.254494D+00  0.113987D+01  0.211398D+00  0.801169D+01 -0.908698D+01
      3  -0.188640D+00 -0.775664D+00  0.146964D+01  0.107150D+02 -0.886542D+01
               196           197           198           199           200 
      1   0.268139D+00 -0.310218D+01  0.114339D+02 -0.252848D+01 -0.266300D+00
      2  -0.120500D+01 -0.113670D+02  0.199280D+02 -0.813104D+01 -0.194728D+01
      3  -0.127622D+01 -0.143793D+02  0.127843D+02  0.190508D+02  0.686794D+01
               201           202           203           204           205 
      1  -0.372543D+01 -0.529015D+00 -0.851553D+00 -0.222560D+01 -0.255054D+01
      2  -0.437797D+01 -0.100017D+01 -0.169061D+01 -0.222163D+01 -0.614075D+01
      3   0.564399D+01  0.686663D+01  0.422616D+01  0.256575D+01  0.568431D+01
               206           207           208           209           210 
      1  -0.432985D+00 -0.251304D+01 -0.541641D+01  0.173722D+01  0.497282D+01
      2  -0.375752D+01 -0.428431D+01 -0.979209D+01  0.499988D+01  0.915938D+01
      3   0.449420D+01  0.674100D+01  0.269469D+01 -0.916481D+01 -0.348844D+00
               211           212           213           214           215 
      1   0.271692D+01 -0.206705D+01 -0.384392D+01  0.452941D+01 -0.213137D+01
      2   0.355752D+01 -0.461000D+01 -0.554550D+01  0.731183D+01 -0.761355D+01
      3  -0.339884D+01  0.640633D+01  0.240766D+01 -0.286682D+00  0.640356D+01
               216           217           218           219           220 
      1  -0.452348D+01 -0.186501D+00  0.245858D+01  0.144144D+01  0.125602D+01
      2  -0.864294D+01 -0.205296D+02  0.349916D+00 -0.115983D+02 -0.945753D-01
      3   0.427874D+01 -0.550303D+01  0.204604D+01 -0.144220D+01  0.359367D+01
               221           222           223           224           225 
      1  -0.130176D+00 -0.229273D+00  0.133458D+01  0.202590D+01  0.166834D+01
      2  -0.234221D+01 -0.298838D+01 -0.112495D+02 -0.717152D+00 -0.124083D+02
      3  -0.186064D+01  0.123924D+01 -0.653381D+00  0.113126D+01 -0.106811D+01
               226           227           228           229           230 
      1  -0.101866D+01 -0.190138D+01 -0.528064D+00 -0.206477D+01 -0.116697D+02
      2  -0.267968D+01  0.914960D+00  0.157421D+01  0.820248D+00 -0.272732D+01
      3  -0.474171D+01 -0.541555D+01 -0.179490D+00 -0.324541D+01 -0.341116D+02
               231           232           233           234           235 
      1  -0.319433D+01 -0.175509D+00 -0.108566D+00 -0.110903D+01  0.450871D+01
      2   0.591482D+01 -0.714727D+00  0.237599D+01  0.109578D+01 -0.869756D+01
      3   0.297224D+01 -0.493338D+00 -0.205766D+01 -0.229727D+01  0.825966D+01
               236           237           238           239           240 
      1  -0.369988D+01 -0.278318D+01 -0.285605D+01  0.192912D+01  0.115005D+01
      2   0.474950D+00  0.109185D+02  0.283145D+01 -0.181412D+01 -0.724595D+01
      3  -0.845487D+01 -0.458390D+01 -0.675804D+01  0.359377D+01  0.402481D+01
               241           242           243           244           245 
      1  -0.381703D+01  0.319862D+01  0.339831D+01 -0.202246D+01  0.101296D+01
      2   0.650447D+01 -0.248192D+01 -0.129308D+02  0.141973D+01  0.244271D+00
      3  -0.516399D+01  0.407213D+01  0.559298D+01  0.531245D+01 -0.247851D+01
               246           247           248           249           250 
      1  -0.235776D+00  0.100098D+01 -0.510058D+01 -0.602721D+00 -0.663854D+00
      2   0.259683D+01  0.710116D+00  0.463568D+01 -0.480777D+01  0.166223D+01
      3   0.148273D+01  0.268509D+00  0.129824D+02 -0.538060D+01  0.109997D+01
               251           252           253           254           255 
      1   0.310633D+01 -0.438776D+00  0.372921D+01  0.353950D+01 -0.359361D+01
      2  -0.344334D+01  0.558254D+01 -0.448574D+01  0.903283D+00  0.173421D+02
      3  -0.625528D+01  0.366073D+01 -0.417435D+01 -0.666904D+01 -0.585491D+01
               256           257           258           259           260 
      1   0.414213D+01 -0.956435D+01  0.396992D+01 -0.986993D+00  0.909418D+01
      2   0.184729D+01  0.868738D+01  0.621379D+01  0.141131D+02  0.333611D+01
      3  -0.727744D+01  0.653946D+01 -0.126227D+02 -0.720517D+01 -0.114334D+02
               261           262           263           264           265 
      1   0.537446D+01 -0.260091D+01 -0.562334D+00  0.287695D+01 -0.570978D-02
      2  -0.653192D+01 -0.812547D+01  0.341737D+01  0.990973D+01 -0.154530D+01
      3  -0.211110D+01  0.107841D+01 -0.398193D+01 -0.527737D+00 -0.111622D+01
               266           267           268           269           270 
      1  -0.779742D+00 -0.128145D+00  0.379350D+01  0.606919D+00 -0.492370D+01
      2  -0.140099D+01  0.152066D+01  0.117497D+02 -0.497245D+01 -0.190691D+02
      3   0.160781D+01  0.143710D+01 -0.813343D+00  0.538657D+01  0.184471D+01
               271           272           273           274           275 
      1   0.252045D+01 -0.164884D+01  0.139983D+01 -0.921069D+00  0.131472D+02
      2   0.131089D+00 -0.105859D+01 -0.990264D+00 -0.147935D+01 -0.124018D+01
      3  -0.362926D+01  0.266457D+01 -0.685490D+00  0.397799D+01 -0.172035D+02
               276           277           278           279           280 
      1  -0.584264D+01  0.136227D+01 -0.397882D+01  0.484937D+01 -0.125384D+01
      2   0.319180D+01 -0.169819D+01  0.941576D+00 -0.281337D+01 -0.528312D+01
      3   0.225659D+01 -0.267012D+01  0.628619D+01 -0.206042D+01  0.489092D+01
               281           282           283           284           285 
      1   0.328631D+01 -0.173562D+01  0.178036D+01  0.138436D+01 -0.525929D+00
      2   0.769174D+00  0.440478D+01 -0.247355D+00 -0.101059D+01 -0.459512D+00
      3  -0.563409D+01  0.673413D+00 -0.152467D+01 -0.144426D+01 -0.203403D+00
               286           287           288           289           290 
      1  -0.167458D+01  0.103240D+01 -0.202160D+01 -0.254211D+01 -0.306210D+01
      2   0.123343D-01  0.513474D+00  0.450934D+01  0.121867D+02 -0.135328D+01
      3   0.216547D+01 -0.130766D+01  0.664560D+00 -0.342516D+01  0.175784D+01
               291           292           293           294           295 
      1   0.300259D+01 -0.187951D+01 -0.457147D+00  0.205764D+00  0.216675D+01
      2  -0.128558D+02  0.116741D+01  0.214020D+01 -0.172835D+01 -0.112439D+02
      3   0.395590D+01  0.218523D+01 -0.912114D+00 -0.664482D+00  0.312020D+01
               296           297 
      1   0.258637D+01 -0.574613D+01
      2   0.177857D+01  0.201459D+02
      3  -0.121762D+01 -0.446622D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.160194D+01  0.152919D+02 -0.519703D+01 -0.248321D+02  0.153901D+02
      2   0.556553D+01 -0.138190D+02  0.776557D+01  0.163654D+02 -0.471291D+01
      3  -0.396359D+01 -0.147288D+01 -0.256854D+01  0.846672D+01 -0.106772D+02
      4   0.122016D+02  0.466673D+01  0.600399D+01  0.158057D+02  0.215090D+00
      5  -0.888288D+01  0.776418D+01 -0.620320D+01 -0.640278D+01 -0.277475D+01
      6   0.877495D+01  0.244037D+01  0.287504D+00 -0.480876D+01  0.917873D+01
                 6             7             8             9            10 
      1  -0.134828D+02  0.892332D+01  0.383851D+01 -0.104365D+02  0.561985D+02
      2   0.662818D+01 -0.777897D+01  0.218697D+01 -0.977686D+01 -0.300334D+02
      3   0.685464D+01 -0.114436D+01 -0.602548D+01  0.202134D+02 -0.261651D+02
      4  -0.285479D+01  0.905742D+01 -0.735883D+01  0.300802D+01 -0.298580D+01
      5  -0.164862D+01  0.383699D+01  0.309247D+01 -0.136544D+01  0.501691D+01
      6  -0.648560D+01  0.602353D+01 -0.103453D+01  0.358341D+01  0.882937D+00
                11            12            13            14            15 
      1  -0.256265D+01  0.518818D+01 -0.113836D+02 -0.176078D+02  0.652051D+01
      2   0.634080D+01 -0.475716D+01  0.280171D+01  0.130748D+02 -0.112768D+02
      3  -0.377815D+01 -0.431014D+00  0.858192D+01  0.453296D+01  0.475624D+01
      4   0.678416D+01 -0.446177D+01 -0.133521D+02  0.258639D+01 -0.367193D-01
      5  -0.385188D+01  0.218533D+01  0.123987D+02 -0.968765D+00  0.221896D+01
      6   0.134162D+01 -0.116080D+01 -0.218186D+01 -0.469424D+01  0.577197D+01
                16            17            18            19            20 
      1  -0.977221D+00  0.833114D+01 -0.594472D+01  0.142121D+01 -0.155257D+02
      2  -0.175148D+01 -0.375391D+01 -0.208166D+01 -0.888047D+01  0.694839D+01
      3   0.272870D+01 -0.457724D+01  0.802638D+01  0.745926D+01  0.857729D+01
      4   0.148474D+02  0.317165D+01  0.421467D+00 -0.146446D+02 -0.708758D+01
      5   0.109039D+02  0.867767D+00  0.363629D+01  0.271688D+01 -0.355445D+01
      6   0.101861D+02  0.112542D+02  0.544395D+01 -0.587805D+01 -0.588671D+01
                21            22            23            24            25 
      1   0.124201D+02  0.171730D+02  0.227845D+01 -0.281806D+01 -0.108187D+02
      2  -0.242386D+01 -0.114431D+02 -0.225145D+01  0.345698D+01  0.116198D+02
      3  -0.999620D+01 -0.572996D+01 -0.269965D-01 -0.638925D+00 -0.801143D+00
      4  -0.129365D+01  0.691543D+01 -0.507116D+01  0.613687D+01 -0.953285D+01
      5   0.715486D+01  0.299433D+01  0.716755D+01 -0.287201D+01  0.801376D+01
      6   0.152894D+01  0.125934D+02  0.827324D+01  0.467203D+01 -0.779817D+01
                26            27            28            29            30 
      1  -0.153777D+02  0.785812D-01  0.980407D+01  0.298231D+01  0.194274D+01
      2   0.155848D+02 -0.481143D+01 -0.860996D+01 -0.369921D+01 -0.233077D+01
      3  -0.207025D+00  0.473285D+01 -0.119411D+01  0.716902D+00  0.388024D+00
      4  -0.662181D+00 -0.315601D+01 -0.151716D+01  0.596673D+01 -0.156990D+01
      5  -0.194290D+01 -0.519279D+01  0.399790D+01 -0.129476D+01  0.340903D+01
      6  -0.803989D-02 -0.429786D-01  0.715436D+01  0.215314D+01 -0.182128D+01
                31            32            33            34            35 
      1  -0.873541D+01 -0.175223D+02  0.575843D+01 -0.689298D+01  0.909194D+01
      2  -0.154045D+01  0.107192D+02 -0.120471D+02  0.129309D+01 -0.713049D+01
      3   0.102759D+02  0.680316D+01  0.628863D+01  0.559989D+01 -0.196145D+01
      4  -0.120664D+02 -0.214602D+01  0.216581D+00  0.166529D+02  0.370995D+01
      5   0.129926D+02  0.634989D+00  0.634244D+01  0.127446D+02  0.248169D+01
      6  -0.679833D+01 -0.648016D+01  0.429185D+01  0.416934D+01  0.959978D+01
                36            37            38            39            40 
      1  -0.312491D+01  0.842770D+01  0.214671D+02 -0.281619D+01 -0.154075D+02
      2  -0.947042D+00  0.240937D+01 -0.209422D+02  0.600993D+01  0.137719D+02
      3   0.407195D+01 -0.108371D+02 -0.524936D+00 -0.319374D+01  0.163562D+01
      4   0.201548D+01  0.863059D+01 -0.108675D+01  0.620149D+01  0.107945D+02
      5  -0.813379D+00 -0.754482D+01  0.876701D+01 -0.653310D+01 -0.551074D+00
      6   0.314120D+01  0.563133D+01 -0.212622D+01 -0.111427D+00 -0.773833D+01
                41            42            43            44            45 
      1   0.724779D+01 -0.112847D+02  0.672925D+01 -0.210270D+01 -0.854314D+01
      2   0.254516D+01  0.965157D+01 -0.976306D+01  0.725956D+01 -0.582240D+01
      3  -0.979295D+01  0.163316D+01  0.303381D+01 -0.515686D+01  0.143655D+02
      4   0.126792D+01 -0.433020D+01  0.455070D+01 -0.114597D+02  0.376604D+01
      5  -0.382482D+01 -0.362280D+01  0.786533D+01  0.366905D+01 -0.175669D+01
      6   0.121648D+02 -0.707347D+01  0.497025D+01  0.139168D+01 -0.144404D+01
                46            47            48            49            50 
      1  -0.134783D+01 -0.164086D+02  0.751738D+01  0.233701D+02 -0.440176D+01
      2  -0.713255D+01  0.848111D+01 -0.448680D+01 -0.179746D+02  0.313863D+01
      3   0.848039D+01  0.792745D+01 -0.303058D+01 -0.539546D+01  0.126313D+01
      4  -0.111778D+02 -0.957882D+01 -0.104509D+01  0.161026D+01 -0.587937D+01
      5  -0.339040D+01 -0.360400D+01  0.881287D+01  0.763282D+01  0.579922D+01
      6  -0.369901D+01 -0.836446D+01  0.460040D+01  0.111073D+02  0.119800D+02
                51            52            53            54            55 
      1  -0.205143D+01 -0.264872D+02 -0.217103D+02  0.927816D+00 -0.466561D+02
      2   0.408404D+01  0.161944D+02  0.235231D+02 -0.233318D+01  0.197676D+02
      3  -0.203261D+01  0.102928D+02 -0.181287D+01  0.140536D+01  0.268885D+02
      4   0.613472D+01 -0.891207D+01  0.242010D+01  0.928920D+00  0.113172D+02
      5  -0.455614D+00  0.106802D+02 -0.132839D+01 -0.340893D+01  0.169088D+02
      6   0.592232D+01 -0.349277D+01  0.578744D+01  0.782217D+00  0.142283D+01
                56            57            58            59            60 
      1   0.101032D+02  0.128607D+02  0.249273D+02 -0.392384D+01 -0.988299D+01
      2  -0.537914D+01 -0.591565D+01 -0.192968D+02 -0.376475D+01 -0.602853D+01
      3  -0.472411D+01 -0.694504D+01 -0.563049D+01  0.768859D+01  0.159115D+02
      4  -0.146283D+02 -0.572593D+01 -0.253283D+02 -0.362007D+02 -0.154787D+02
      5  -0.623893D+01 -0.907679D+01 -0.952867D+01 -0.147739D+02  0.177833D+02
      6  -0.341541D+01 -0.149380D+01 -0.106925D+02 -0.133400D+02 -0.613515D+01
                61            62            63            64            65 
      1   0.370637D+02 -0.106722D+02  0.313943D+01 -0.384372D+02 -0.220428D+02
      2  -0.104796D+02 -0.244585D+01  0.140347D+02  0.235946D+02  0.935263D+01
      3  -0.265841D+02  0.131181D+02 -0.171741D+02  0.148426D+02  0.126901D+02
      4  -0.972084D+01 -0.718000D+01  0.143168D+02 -0.233008D+02  0.102660D+02
      5  -0.200184D+02  0.143190D+02 -0.305841D+02 -0.552703D+02  0.456507D+01
      6  -0.179790D+01 -0.337471D+01  0.511666D+01  0.403713D+00  0.460497D+00
                66            67            68            69            70 
      1  -0.511038D+02 -0.414872D+02  0.985606D+01  0.493331D+01 -0.833428D+02
      2   0.249773D+02  0.246559D+02 -0.100876D+02 -0.454743D+01  0.406272D+02
      3   0.261265D+02  0.168314D+02  0.231510D+00 -0.385882D+00  0.427156D+02
      4   0.543671D+01  0.872492D+01  0.352290D+02  0.547642D+01  0.127723D+02
      5  -0.588885D+01  0.845854D+01  0.414772D+01 -0.260583D+02 -0.713302D+01
      6   0.109381D+01  0.162378D+01 -0.243166D+00  0.694536D-01 -0.268875D+01
                71            72            73            74            75 
      1   0.855353D+01 -0.136523D+02  0.880753D+01  0.245949D+02  0.363346D+02
      2  -0.565577D+01  0.956588D+01 -0.118974D+02 -0.833781D+01 -0.162674D+02
      3  -0.289776D+01  0.408638D+01  0.308985D+01 -0.162571D+02 -0.200673D+02
      4   0.948889D+01 -0.273574D+02  0.235521D+02 -0.229191D+02 -0.212630D+02
      5  -0.277316D+02  0.104679D+02  0.364133D+02 -0.129280D+02 -0.470088D+01
      6   0.143229D+01  0.209407D+01 -0.177296D+02  0.429801D+01 -0.795994D-01
                76            77            78            79            80 
      1   0.280060D+02 -0.148714D+02 -0.114115D+02  0.462049D+02 -0.193283D+02
      2  -0.123697D+02  0.185541D+02  0.725461D+01 -0.198220D+02  0.108981D+02
      3  -0.156363D+02 -0.368270D+01  0.415691D+01 -0.263829D+02  0.843021D+01
      4  -0.169383D+02 -0.161344D+02 -0.417998D+01 -0.268689D+02 -0.485706D+01
      5  -0.947737D+01 -0.426307D+01  0.277329D+02 -0.987260D+01  0.343463D+02
      6   0.333905D+01  0.510667D+01 -0.142338D+02  0.469821D+01 -0.165649D+02
                81            82            83            84            85 
      1   0.549442D+01  0.678699D+01  0.162673D+02  0.465908D+02  0.240750D+02
      2  -0.103914D+02  0.112728D+02 -0.118794D+02 -0.237924D+02 -0.202827D+02
      3   0.489703D+01 -0.180598D+02 -0.438790D+01 -0.227984D+02 -0.379228D+01
      4   0.347891D+02  0.178621D+02 -0.100267D+02 -0.506875D+01 -0.140668D+02
      5  -0.206907D+02  0.417825D+02 -0.102989D+02 -0.198156D+02 -0.204372D+02
      6   0.115284D+02 -0.300306D+01  0.233286D+01  0.290860D+01  0.305398D+01
                86            87            88            89            90 
      1  -0.988760D+01 -0.117211D+02  0.525755D+02 -0.734104D+01 -0.659043D+01
      2  -0.929699D+01  0.124737D+02 -0.278553D+02  0.920107D+01  0.382717D+01
      3   0.191846D+02 -0.752574D+00 -0.247202D+02 -0.186003D+01  0.276326D+01
      4  -0.539694D+02 -0.313795D+01 -0.973556D+01 -0.108694D+02  0.238521D+02
      5   0.439477D+00  0.268100D+02 -0.156407D+02  0.247731D+02 -0.323993D+01
      6   0.947946D+01  0.318966D+01  0.490473D+01  0.380342D+01 -0.871794D+01
                91            92            93            94            95 
      1   0.490316D+01  0.839676D+01  0.149840D+02  0.616542D+01  0.511681D+01
      2  -0.434711D+01 -0.408688D+01 -0.435127D+01  0.421365D+00  0.230116D+01
      3  -0.556054D+00 -0.430987D+01 -0.106327D+02 -0.658679D+01 -0.741797D+01
      4   0.784063D+01 -0.383981D+01 -0.959346D-01 -0.120613D+02  0.129701D+02
      5   0.116791D+02 -0.105152D+00 -0.638907D+01 -0.908407D+01 -0.249837D+02
      6   0.986421D+00 -0.483675D+01 -0.593777D+00 -0.125375D+02  0.491403D+01
                96            97            98            99           100 
      1   0.271681D+01  0.314317D+02  0.528451D+00 -0.104070D+02 -0.855298D+01
      2   0.369528D+01 -0.129541D+02 -0.376242D-01  0.555273D+01  0.178442D+01
      3  -0.641209D+01 -0.184776D+02 -0.490827D+00  0.485430D+01  0.676856D+01
      4  -0.244009D+02 -0.887760D+01 -0.202426D+02 -0.889021D+00 -0.147009D+02
      5  -0.795852D+01 -0.304693D+02 -0.666701D+00 -0.351227D+01  0.553828D+01
      6  -0.156679D+02 -0.384887D+01 -0.115430D+02 -0.407930D+01  0.113536D+01
               101           102           103           104           105 
      1  -0.105240D+02 -0.405043D+01 -0.289846D+02 -0.146885D+02  0.113305D+02
      2   0.514577D+01  0.160897D+00  0.185476D+02  0.650749D+00 -0.112119D+02
      3   0.537821D+01  0.388954D+01  0.104370D+02  0.140377D+02 -0.118580D+00
      4  -0.171510D+02  0.254321D+01 -0.325508D+02 -0.201244D+02  0.187784D+02
      5   0.313087D+01  0.576491D+01  0.192864D+02  0.185050D+02 -0.167336D+02
      6   0.806936D+01 -0.839305D+00  0.930469D+01  0.353878D+01 -0.115207D+02
               106           107           108           109           110 
      1   0.100063D+02  0.574159D+01  0.136459D+02  0.481578D+02  0.255652D+02
      2  -0.102459D+01 -0.310760D+01 -0.809203D+01 -0.221514D+02 -0.964538D+01
      3  -0.898173D+01 -0.263399D+01 -0.555386D+01 -0.260064D+02 -0.159198D+02
      4   0.669923D+01  0.312360D+02 -0.626454D+01  0.351946D+02  0.302743D+02
      5   0.118028D+02 -0.585653D+01 -0.103114D+01 -0.182264D+02 -0.663386D+01
      6  -0.453855D-01 -0.607725D+01  0.385301D+00 -0.660465D+01 -0.593669D+01
               111           112           113           114           115 
      1  -0.109593D+02  0.482486D+02  0.123588D+02 -0.686777D+01 -0.194503D+02
      2   0.643948D+01 -0.212988D+02  0.659348D+01  0.498678D+01  0.125219D+02
      3   0.451980D+01 -0.269499D+02 -0.189522D+02  0.188099D+01  0.692835D+01
      4  -0.441300D+01  0.413976D+02  0.688620D+02 -0.143186D+02 -0.108386D+02
      5   0.134537D+02 -0.207896D+02 -0.144972D+02  0.274657D+02  0.222845D+02
      6   0.376572D+01 -0.663440D+01 -0.170229D+02  0.144710D+02  0.376709D+01
               116           117           118           119           120 
      1  -0.144856D+01  0.271795D+01  0.513258D+00 -0.117422D+02  0.128348D+02
      2   0.932878D+00 -0.766800D+01  0.823376D+01  0.202177D+01 -0.118298D+02
      3   0.515686D+00  0.495005D+01 -0.874702D+01  0.972045D+01 -0.100504D+01
      4  -0.231913D+02  0.194750D+02 -0.952142D+01  0.961049D+01 -0.689727D+01
      5   0.187987D+02 -0.227469D+02  0.198954D+02 -0.378898D+01 -0.195007D+02
      6   0.144400D+02 -0.960685D+01 -0.224966D+01  0.193293D+00  0.307575D+01
               121           122           123           124           125 
      1  -0.248044D+02  0.292237D+01 -0.406403D+01  0.221336D+02 -0.107917D+02
      2   0.748916D+01  0.132771D+02  0.203723D+01 -0.182858D+02  0.541250D+01
      3   0.173152D+02 -0.161994D+02  0.202680D+01 -0.384779D+01  0.537921D+01
      4   0.302369D+02 -0.450067D+02 -0.126988D+02 -0.765920D+01 -0.143807D+01
      5   0.764427D+01 -0.100642D+02 -0.119301D+02 -0.244373D+02 -0.197434D+01
      6  -0.571386D+01  0.121941D+02  0.125369D+02  0.387699D+01  0.742710D+01
               126           127           128           129           130 
      1  -0.259133D+02 -0.424054D-01  0.108732D+01 -0.283321D+01  0.286731D+01
      2   0.176923D+02 -0.777700D+00  0.664299D-01 -0.151622D+01 -0.231015D+01
      3   0.822104D+01  0.820106D+00 -0.115375D+01  0.434943D+01 -0.557157D+00
      4  -0.991531D+00 -0.682303D+01  0.683644D+01 -0.455972D+01  0.777680D+01
      5   0.273983D+02  0.453649D+01 -0.425595D+01  0.531563D+01 -0.424425D+01
      6   0.926981D+00 -0.478832D+01  0.482717D+01 -0.430644D+01  0.595655D+01
               131           132           133           134           135 
      1  -0.150188D+02  0.124118D+02 -0.518260D+00  0.873833D+01 -0.103453D+02
      2   0.111085D+02 -0.335560D+01 -0.928834D+00 -0.452664D+01  0.104987D+01
      3   0.391024D+01 -0.905617D+01  0.144709D+01 -0.421169D+01  0.929539D+01
      4  -0.110748D+02  0.641715D+01 -0.656501D+01  0.839709D+01 -0.664131D+01
      5   0.476517D+01 -0.459482D+01  0.522375D+01 -0.471609D+01  0.695591D+01
      6  -0.163325D+02  0.137806D+02 -0.527062D+01  0.119304D+02 -0.120332D+02
               136           137           138           139           140 
      1   0.206848D+01 -0.251903D+01  0.177362D+00 -0.199292D+01 -0.116052D+02
      2   0.193979D+01  0.549529D+01 -0.468207D+00  0.519873D+01  0.165332D+02
      3  -0.400827D+01 -0.297626D+01  0.290845D+00 -0.320580D+01 -0.492798D+01
      4   0.766844D+01  0.782963D+01 -0.177400D+01  0.103115D+02  0.128376D+02
      5  -0.474670D+01 -0.304552D+01  0.343840D+01 -0.593878D+01 -0.690192D+01
      6  -0.183965D+01 -0.219942D+01  0.241409D+01 -0.457847D+01 -0.866265D+01
               141           142           143           144           145 
      1   0.443825D+01  0.744237D+00  0.540829D+01 -0.316725D+01 -0.288203D+01
      2  -0.324468D+01 -0.171841D+01 -0.582619D+01  0.181724D+01  0.340782D+01
      3  -0.119358D+01  0.974174D+00  0.417900D+00  0.135000D+01 -0.525788D+00
      4  -0.339523D+01 -0.294183D+01 -0.299533D+01  0.264189D+01 -0.785248D+01
      5   0.534896D+01  0.323850D+01  0.304965D+01 -0.256555D+01  0.453553D+01
      6   0.626704D+01  0.262405D+01  0.502227D+01 -0.364728D+01 -0.614384D+01
               146           147           148           149           150 
      1   0.440096D+01 -0.413632D+01  0.585904D+01 -0.222939D+02  0.141341D+02
      2  -0.476217D+01  0.191488D+01 -0.676691D+01  0.251380D+02 -0.105705D+02
      3   0.361217D+00  0.222144D+01  0.907866D+00 -0.284413D+01 -0.356354D+01
      4   0.893568D+01 -0.577339D+01  0.849800D+01 -0.124024D+02  0.651805D+01
      5  -0.394887D+01  0.469390D+01 -0.383560D+01  0.340296D+01 -0.345360D+01
      6   0.640807D+01 -0.594088D+01  0.681457D+01 -0.193811D+02  0.152636D+02
               151           152           153           154           155 
      1  -0.464298D+01  0.140032D+02 -0.112996D+02  0.202362D+01 -0.360659D+01
      2   0.473545D+01 -0.137293D+02  0.681597D+01  0.688890D+01  0.124435D+02
      3  -0.924691D-01 -0.273874D+00  0.448360D+01 -0.891252D+01 -0.883688D+01
      4  -0.667975D+01  0.937905D+01 -0.649840D+01  0.147611D+02  0.154556D+02
      5   0.380682D+01 -0.345409D+01  0.458515D+01 -0.494393D+01 -0.358963D+01
      6  -0.567085D+01  0.135768D+02 -0.123719D+02 -0.153760D+01 -0.950853D+00
               156           157           158           159           160 
      1  -0.813660D+00 -0.136763D+01 -0.160126D+02  0.330830D+01  0.361023D+01
      2  -0.801527D+00  0.111666D+02  0.309254D+02 -0.515390D+01 -0.408460D+01
      3   0.161519D+01 -0.979901D+01 -0.149129D+02  0.184560D+01  0.474363D+00
      4  -0.279375D+01  0.168499D+02  0.235868D+02 -0.531511D+01 -0.311092D+01
      5   0.319530D+01 -0.644327D+01 -0.723308D+01  0.519875D+01  0.210354D+01
      6   0.267847D+01 -0.405927D+01 -0.749895D+01  0.628962D+01  0.260961D+01
               161           162           163           164           165 
      1   0.702016D+01 -0.278900D+01  0.125942D+02  0.721279D+01  0.952892D-01
      2  -0.102853D+02  0.311659D+01 -0.272990D+01 -0.199022D+01 -0.609237D+00
      3   0.326514D+01 -0.327588D+00 -0.986430D+01 -0.522257D+01  0.513948D+00
      4  -0.501925D+01  0.356011D+01  0.149644D+02  0.166494D+02  0.626832D+01
      5   0.366346D+01 -0.220298D+01  0.433049D+01  0.728373D+01  0.801247D+01
      6   0.485187D+01 -0.330626D+01  0.523879D+01  0.461102D+01  0.267812D+01
               166           167           168           169           170 
      1   0.132429D+02 -0.701824D+01 -0.275970D+01 -0.702437D+01 -0.118744D+01
      2  -0.203087D+01  0.172857D+02  0.272899D+01  0.244691D+01  0.374354D+00
      3  -0.112120D+02 -0.102674D+02  0.307139D-01  0.457746D+01  0.813081D+00
      4   0.247517D+02  0.486883D+02  0.175769D+02  0.492838D+01  0.711013D+01
      5   0.125201D+02  0.171329D+02  0.124542D+02  0.715641D+01  0.729468D+01
      6   0.942113D+01  0.218234D+02  0.127585D+02  0.317739D+01  0.838295D+01
               171           172           173           174           175 
      1  -0.208782D+01  0.533152D+01 -0.376782D+01  0.539556D+01 -0.126205D+02
      2  -0.723516D+00 -0.712211D+01  0.242276D+01 -0.496789D+01  0.997390D+01
      3   0.281134D+01  0.179059D+01  0.134506D+01 -0.427671D+00  0.264655D+01
      4   0.780573D+01 -0.495476D+01  0.464635D+01 -0.438604D+00  0.641542D+01
      5   0.937038D+01  0.894223D+01 -0.142125D+01  0.131056D+02 -0.737912D+01
      6   0.538336D+01 -0.205428D+01  0.989250D+00  0.498283D-01  0.266288D+01
               176           177           178           179           180 
      1  -0.131425D+01  0.570226D+01  0.508621D+01  0.239158D+01 -0.166097D+02
      2  -0.171826D+01  0.658756D+01 -0.109536D+02  0.336044D+01 -0.226496D+02
      3   0.303251D+01 -0.122898D+02  0.586738D+01 -0.575202D+01  0.392592D+02
      4  -0.359065D+01  0.894846D+01 -0.144061D+01  0.742663D+01 -0.760443D+01
      5   0.924398D+01 -0.185532D+02  0.215162D+02 -0.759264D+01  0.512965D+02
      6  -0.326645D+01  0.663196D+01 -0.939470D+00  0.603531D+01 -0.234048D+01
               181           182           183           184           185 
      1   0.113741D+03  0.112476D+02  0.357441D+02  0.158242D+02  0.128726D+02
      2  -0.608304D+02 -0.689956D+01 -0.200943D+02 -0.823801D+01 -0.511818D+01
      3  -0.529106D+02 -0.434807D+01 -0.156498D+02 -0.758618D+01 -0.775443D+01
      4   0.999015D+01  0.139397D+02  0.157040D+01  0.183092D+02  0.919643D+00
      5   0.414450D+02  0.229562D+01  0.264388D+02  0.224758D+01  0.633885D+01
      6   0.124090D+01  0.126342D+01  0.909233D+00  0.281888D+01  0.111430D+01
               186           187           188           189           190 
      1   0.231804D+01  0.441452D+02  0.143973D+01  0.240804D+02  0.887653D-01
      2  -0.110151D+01 -0.259728D+02 -0.129899D+01 -0.172335D+02  0.123032D+01
      3  -0.121653D+01 -0.181725D+02 -0.140744D+00 -0.684687D+01 -0.131909D+01
      4   0.622254D+01  0.304321D+00  0.552068D+01  0.583041D+01 -0.813788D+01
      5   0.655909D+01  0.312748D+02  0.649847D+01  0.230386D+02  0.371578D+01
      6   0.287181D+01  0.783599D+00  0.219255D+01  0.765762D+00 -0.192415D+01
               191           192           193           194           195 
      1  -0.863419D+01  0.397271D+01 -0.665900D+01 -0.778452D+01  0.745622D+01
      2   0.412457D+01 -0.253887D+01  0.162014D+01  0.140481D+02 -0.972886D+01
      3   0.450962D+01 -0.143384D+01  0.503887D+01 -0.626358D+01  0.227264D+01
      4   0.660882D+01 -0.196270D+01  0.955024D+01 -0.225750D+02  0.163986D+02
      5  -0.117768D+01  0.489965D+01 -0.271250D+01  0.166548D+02 -0.183492D+02
      6  -0.250821D+00 -0.305856D+00  0.134623D+01 -0.129292D+02  0.148822D+02
               196           197           198           199           200 
      1   0.751697D+01  0.930156D+01 -0.109799D+02 -0.386090D+02 -0.116804D+02
      2  -0.269509D+01 -0.132888D+02  0.542128D+01  0.209505D+02  0.117150D+02
      3  -0.482187D+01  0.398724D+01  0.555865D+01  0.176585D+02 -0.345160D-01
      4  -0.864231D+01  0.281064D+02 -0.248259D+02  0.106157D+02 -0.783242D+01
      5   0.807053D+01 -0.248073D+02  0.405262D+02 -0.707213D+01 -0.152011D+01
      6  -0.330360D+01  0.175578D+02 -0.244967D+02  0.714850D+01  0.350404D+01
               201           202           203           204           205 
      1  -0.148434D+02 -0.891187D+01 -0.836040D+01 -0.289945D+01 -0.171443D+02
      2   0.740100D+01  0.682061D+01  0.785145D+01  0.328118D+01  0.798269D+01
      3   0.744238D+01  0.209126D+01  0.508950D+00 -0.381729D+00  0.916160D+01
      4   0.288656D+01  0.229203D+01 -0.271395D+01 -0.450015D+00  0.559938D+01
      5  -0.680667D+01 -0.215997D+00 -0.178207D+01 -0.414687D+01 -0.256554D+01
      6   0.674947D+01  0.244142D+01  0.222932D+01  0.490547D+01  0.411157D+01
               206           207           208           209           210 
      1  -0.514895D+01 -0.127676D+02  0.518065D+02 -0.227814D+02 -0.191665D+02
      2   0.531629D+01  0.633968D+01 -0.185518D+02  0.191067D+01  0.847814D+01
      3  -0.167346D+00  0.642796D+01 -0.332547D+02  0.208708D+02  0.106883D+02
      4  -0.544220D+01 -0.382256D+01 -0.452234D+02  0.370249D+02  0.168448D+02
      5  -0.692675D+01 -0.558217D+01 -0.257367D+02  0.126442D+02  0.193913D+02
      6   0.638836D+01  0.492656D+01  0.109587D+02 -0.683191D+01 -0.844158D+01
               211           212           213           214           215 
      1  -0.172485D+02  0.136289D+02  0.526498D+01 -0.259699D+02  0.102717D+02
      2   0.535543D+00  0.264356D+01  0.682744D+00  0.103807D+02  0.495889D+00
      3   0.167130D+02 -0.162725D+02 -0.594772D+01  0.155892D+02 -0.107676D+02
      4   0.308091D+02 -0.286566D+02 -0.124050D+02  0.259676D+02 -0.231028D+02
      5   0.106396D+02 -0.110639D+02 -0.108167D+02  0.231874D+02 -0.173505D+02
      6  -0.642849D+01  0.702072D+01  0.784614D+01 -0.100262D+02  0.104366D+02
               216           217           218           219           220 
      1   0.119903D+02 -0.482561D+02 -0.256003D+01 -0.179181D+02 -0.330936D+01
      2  -0.507027D+01  0.189547D+02  0.988136D+00  0.411236D+00  0.189088D+01
      3  -0.692002D+01  0.293014D+02  0.157189D+01  0.175068D+02  0.141848D+01
      4  -0.200450D+02 -0.724184D+01 -0.517792D+01  0.602620D+00 -0.262377D+00
      5  -0.194055D+02  0.675928D+01  0.256368D+01 -0.117583D+02  0.894893D+00
      6   0.906471D+01  0.705997D+00  0.335976D+01 -0.161213D+01  0.174499D+01
               221           222           223           224           225 
      1  -0.503182D+01 -0.173252D+01 -0.134217D+02  0.385496D+00 -0.194841D+02
      2   0.382381D+01 -0.112354D+01  0.109588D+01 -0.134637D+01 -0.222396D+00
      3   0.120801D+01  0.285606D+01  0.123258D+02  0.960873D+00  0.197065D+02
      4   0.398203D+01 -0.217346D+01 -0.100940D+01 -0.282203D+01 -0.258608D+01
      5  -0.144017D+01 -0.500994D+01 -0.371967D+01 -0.101395D+01 -0.107040D+02
      6  -0.500463D+00  0.282465D+01 -0.120239D+01  0.259510D+01 -0.110232D+01
               226           227           228           229           230 
      1   0.887267D+01  0.103337D+02 -0.556098D+01  0.150698D+02  0.208704D+01
      2  -0.290101D+01 -0.206370D+01  0.332111D+01 -0.282028D+01  0.207184D+02
      3  -0.597166D+01 -0.826998D+01  0.223987D+01 -0.122496D+02 -0.228055D+02
      4   0.133037D+02  0.168340D+02 -0.108283D+01  0.246345D+02  0.730114D+02
      5  -0.702705D+01 -0.224025D+01  0.573452D+01 -0.685704D+01 -0.958068D+01
      6  -0.196641D+01 -0.261243D+01  0.937186D+00 -0.516544D+01 -0.178807D+02
               231           232           233           234           235 
      1   0.558831D+00 -0.103262D+01  0.246055D+01 -0.203602D+00  0.635318D+02
      2   0.139961D+01  0.148061D+01  0.901603D+00  0.110997D+01 -0.428670D+02
      3  -0.195844D+01 -0.447987D+00 -0.336216D+01 -0.906367D+00 -0.206648D+02
      4  -0.777778D+01  0.157961D+01  0.441296D+01  0.544605D+01 -0.652088D+01
      5   0.114829D+02  0.416775D+01  0.525988D+01  0.818769D+00 -0.523749D+02
      6   0.737464D+01  0.852113D+00  0.516081D+01 -0.546432D+00  0.213717D+01
               236           237           238           239           240 
      1  -0.885923D+01 -0.331014D+02 -0.212252D+02  0.100534D+02  0.986379D+01
      2   0.639953D+01  0.266499D+02  0.147500D+02 -0.501545D+01 -0.100703D+02
      3   0.245970D+01  0.645147D+01  0.647525D+01 -0.503791D+01  0.206497D+00
      4   0.136016D+02  0.267684D+01  0.138256D+02 -0.554058D+01 -0.760419D+01
      5   0.622972D+01  0.402019D+02  0.187938D+02 -0.964810D+01 -0.196338D+02
      6  -0.495369D+01 -0.832117D+00 -0.527580D+01  0.309648D+01  0.409943D+01
               241           242           243           244           245 
      1  -0.324051D+02  0.347730D+01  0.214125D+02  0.180292D+01 -0.695518D+01
      2   0.268233D+02 -0.435571D+01 -0.246702D+02 -0.368440D+00  0.340709D+01
      3   0.558179D+01  0.878412D+00  0.325766D+01 -0.143448D+01  0.354809D+01
      4   0.341487D+01 -0.619752D+01 -0.583008D+01 -0.109576D+02  0.856113D+01
      5   0.414612D+02 -0.801872D+01 -0.411624D+02  0.538423D+01 -0.456399D+01
      6  -0.156859D+01  0.382915D+01  0.170833D+01 -0.605430D+01  0.284549D+01
               246           247           248           249           250 
      1   0.838929D+00 -0.963561D+01 -0.459853D+01  0.435684D+01  0.141100D+00
      2  -0.116042D+01  0.390967D+01  0.683901D+01 -0.910641D+00 -0.192723D+01
      3   0.321486D+00  0.572594D+01 -0.224048D+01 -0.344620D+01  0.178613D+01
      4  -0.414143D+01  0.127205D+02 -0.279432D+02  0.126601D+02 -0.526084D+01
      5   0.741649D+01 -0.639700D+01  0.129072D+02 -0.128121D+02  0.109113D+02
      6  -0.176300D+01  0.499375D+01 -0.155294D+02  0.987641D+01 -0.330997D+01
               251           252           253           254           255 
      1   0.217661D+01 -0.293704D+01 -0.283618D+02 -0.103012D+02 -0.418463D+02
      2   0.875413D+00 -0.342838D+01  0.327398D+02  0.100150D+02  0.124517D+02
      3  -0.305203D+01  0.636542D+01 -0.437798D+01  0.286277D+00  0.293945D+02
      4   0.128700D+02 -0.950100D+01 -0.164157D+02  0.245651D+01 -0.123234D+02
      5  -0.905050D+01  0.148432D+02 -0.513998D+02 -0.813184D+01 -0.136163D+02
      6   0.999070D+01 -0.788678D+01 -0.108998D+02  0.118446D+01  0.835335D-01
               256           257           258           259           260 
      1  -0.243825D+01  0.315121D+01 -0.134056D+02 -0.360946D+02 -0.121107D+02
      2   0.360401D+01 -0.196166D+02  0.901152D+01  0.980072D+01  0.138207D+02
      3  -0.116575D+01  0.164654D+02  0.439411D+01  0.262939D+02 -0.170995D+01
      4   0.115062D+02 -0.676625D+01  0.180941D+02 -0.550853D+01  0.168598D+02
      5   0.208962D+01  0.220678D+02  0.972843D+01 -0.257078D+01  0.375719D+01
      6   0.934553D+01  0.378762D+01  0.167299D+02  0.544070D+01  0.125838D+02
               261           262           263           264           265 
      1   0.104976D+02  0.352623D+02 -0.861995D+01 -0.224567D+02  0.424585D+01
      2   0.424379D+01 -0.231665D+02  0.484170D+01  0.164303D+02 -0.514795D+01
      3  -0.147414D+02 -0.120958D+02  0.377825D+01  0.602642D+01  0.902108D+00
      4   0.886636D+01 -0.162406D+02  0.107888D+02  0.104551D+02  0.504458D+01
      5   0.328905D+01 -0.324732D+02  0.899186D+01  0.283571D+02 -0.493156D+01
      6   0.355640D+01  0.588693D+01 -0.300322D+01 -0.519578D+01 -0.170071D+01
               266           267           268           269           270 
      1   0.166912D+01 -0.420880D+01 -0.281807D+02  0.665913D+01  0.207859D+02
      2  -0.443217D+00  0.496320D+01  0.227028D+02 -0.466624D+01 -0.229606D+02
      3  -0.122591D+01 -0.754399D+00  0.547790D+01 -0.199289D+01  0.217471D+01
      4  -0.572776D+01 -0.387294D+01  0.152767D+02 -0.132702D+02 -0.155016D+02
      5  -0.409740D+01  0.448056D+01  0.402402D+02 -0.133981D+02 -0.470208D+02
      6   0.203833D+01  0.260184D+01 -0.717088D+01  0.555877D+01  0.965761D+01
               271           272           273           274           275 
      1   0.412248D+00  0.714638D+01  0.323773D+01  0.769302D+01 -0.167210D+02
      2   0.159659D+01 -0.656929D+01  0.269885D+00 -0.452095D+01  0.340513D+02
      3  -0.200884D+01 -0.577091D+00 -0.350762D+01 -0.317207D+01 -0.173303D+02
      4   0.361411D+01  0.459972D+00  0.622977D+00  0.592533D+01  0.281359D+02
      5   0.181640D+01  0.263448D+01  0.771409D+00  0.482041D+01 -0.524276D+01
      6   0.159445D+01 -0.197365D+01 -0.131644D+01  0.632700D+00  0.138740D+02
               276           277           278           279           280 
      1  -0.301647D+00 -0.160788D+01  0.485990D+01 -0.207897D+01  0.638597D+02
      2  -0.629585D+01  0.226982D+01 -0.105077D+02  0.462565D+01 -0.451197D+02
      3   0.659750D+01 -0.661939D+00  0.564778D+01 -0.254668D+01 -0.187400D+02
      4  -0.212971D+01 -0.215029D+01 -0.103103D+02  0.861073D+00  0.260152D+02
      5   0.763279D+01 -0.166647D+01  0.221112D+01 -0.785233D+01  0.611481D+02
      6   0.378568D+01 -0.148564D+01 -0.214768D+01 -0.313955D+01  0.117412D+02
               281           282           283           284           285 
      1   0.641308D+01  0.213650D+02  0.124602D+01  0.504953D+01  0.165799D+01
      2  -0.339247D+01 -0.219058D+02  0.101793D+01 -0.777736D+00 -0.209653D+00
      3  -0.302061D+01  0.540760D+00 -0.226395D+01 -0.427179D+01 -0.144834D+01
      4   0.149531D+02  0.130834D+02  0.114396D+02  0.587331D+01  0.423361D+01
      5   0.117015D+02  0.379518D+02  0.296465D+01  0.554921D+01  0.987135D+00
      6   0.876873D+01  0.919769D+01  0.607916D+01  0.279751D+01  0.338341D+01
               286           287           288           289           290 
      1   0.166749D+02  0.202192D+01  0.777959D+01 -0.139185D+02  0.486954D+01
      2  -0.176538D+02 -0.269439D+01 -0.154031D+02 -0.172455D+01 -0.279816D+01
      3   0.978974D+00  0.672473D+00  0.762355D+01  0.156430D+02 -0.207139D+01
      4   0.927696D+01  0.440008D+01  0.617621D+01 -0.309835D+01 -0.271455D+01
      5   0.312728D+02  0.581664D+01  0.259319D+02  0.250994D+00 -0.110819D+01
      6   0.632696D+01  0.395923D+01  0.659757D+01  0.332775D+01 -0.570833D+01
               291           292           293           294           295 
      1   0.256024D+02 -0.111450D+01 -0.575777D+01  0.198148D+01  0.178748D+02
      2   0.238660D+01 -0.210626D+00  0.245845D+01  0.231320D+01 -0.147557D+01
      3  -0.279890D+02  0.132513D+01  0.329933D+01 -0.429468D+01 -0.163992D+02
      4   0.275742D+01 -0.120642D+01 -0.425443D+00  0.471971D+00  0.452718D+01
      5  -0.308206D+01 -0.115256D+01 -0.161659D+01 -0.357651D+01  0.464287D+01
      6  -0.714412D+01 -0.324200D+01  0.420089D+00  0.435217D+01 -0.268535D+01
               296           297 
      1  -0.366080D+01 -0.340771D+02
      2   0.333417D+00 -0.118161D+02
      3   0.332738D+01  0.458932D+02
      4   0.190925D+01 -0.224589D+01
      5   0.214683D+01  0.164043D+02
      6   0.666874D+01  0.113693D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Wed Sep  8 14:24:38 2021, MaxMem=  6442450944 cpu:           50938.0 elap:            6380.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.31867 -19.26144 -10.44052 -10.32574 -10.31546
 Alpha  occ. eigenvalues --  -10.30861 -10.30416 -10.30382 -10.30168 -10.30123
 Alpha  occ. eigenvalues --  -10.30085 -10.29762 -10.29567 -10.28377 -10.28341
 Alpha  occ. eigenvalues --   -1.20933  -1.11644  -0.96738  -0.92057  -0.89394
 Alpha  occ. eigenvalues --   -0.84339  -0.83868  -0.77960  -0.77562  -0.76627
 Alpha  occ. eigenvalues --   -0.70678  -0.69903  -0.66535  -0.64755  -0.60529
 Alpha  occ. eigenvalues --   -0.59603  -0.57960  -0.56445  -0.55467  -0.54537
 Alpha  occ. eigenvalues --   -0.53693  -0.52170  -0.51576  -0.51120  -0.50814
 Alpha  occ. eigenvalues --   -0.50111  -0.47933  -0.46706  -0.46316  -0.45558
 Alpha  occ. eigenvalues --   -0.45323  -0.44575  -0.43171  -0.42207  -0.41828
 Alpha  occ. eigenvalues --   -0.41461  -0.41147  -0.39874  -0.37271  -0.33529
 Alpha  occ. eigenvalues --   -0.31848
 Alpha virt. eigenvalues --    0.04456   0.05102   0.07573   0.08046   0.08729
 Alpha virt. eigenvalues --    0.10026   0.10558   0.11603   0.11978   0.12447
 Alpha virt. eigenvalues --    0.13247   0.14324   0.14653   0.15223   0.16002
 Alpha virt. eigenvalues --    0.16308   0.16529   0.17196   0.17898   0.18594
 Alpha virt. eigenvalues --    0.18831   0.19564   0.19801   0.20505   0.20595
 Alpha virt. eigenvalues --    0.21311   0.21509   0.22002   0.22661   0.23060
 Alpha virt. eigenvalues --    0.23513   0.23904   0.24311   0.25037   0.25433
 Alpha virt. eigenvalues --    0.25823   0.26229   0.26785   0.27171   0.27453
 Alpha virt. eigenvalues --    0.28015   0.28831   0.29247   0.29314   0.29788
 Alpha virt. eigenvalues --    0.30804   0.31544   0.31893   0.32236   0.33146
 Alpha virt. eigenvalues --    0.33571   0.33945   0.34514   0.34598   0.35335
 Alpha virt. eigenvalues --    0.35489   0.36325   0.36479   0.36630   0.37328
 Alpha virt. eigenvalues --    0.37572   0.38088   0.38559   0.38894   0.39186
 Alpha virt. eigenvalues --    0.39564   0.39854   0.40328   0.40963   0.41083
 Alpha virt. eigenvalues --    0.41518   0.41747   0.42147   0.42703   0.42808
 Alpha virt. eigenvalues --    0.43098   0.43427   0.43772   0.44176   0.44407
 Alpha virt. eigenvalues --    0.44834   0.45076   0.45229   0.45517   0.45864
 Alpha virt. eigenvalues --    0.46152   0.46584   0.46651   0.47231   0.47469
 Alpha virt. eigenvalues --    0.47715   0.47781   0.48802   0.49299   0.49465
 Alpha virt. eigenvalues --    0.50265   0.50501   0.50824   0.50915   0.51171
 Alpha virt. eigenvalues --    0.51905   0.52186   0.52295   0.52934   0.53595
 Alpha virt. eigenvalues --    0.53866   0.54091   0.54452   0.55092   0.55463
 Alpha virt. eigenvalues --    0.55952   0.56655   0.56771   0.57317   0.57362
 Alpha virt. eigenvalues --    0.58064   0.58807   0.59036   0.59214   0.59380
 Alpha virt. eigenvalues --    0.60041   0.60170   0.60630   0.61242   0.61355
 Alpha virt. eigenvalues --    0.61707   0.62475   0.62611   0.63139   0.63922
 Alpha virt. eigenvalues --    0.64266   0.64827   0.65155   0.65523   0.65936
 Alpha virt. eigenvalues --    0.66465   0.66712   0.67206   0.67669   0.67870
 Alpha virt. eigenvalues --    0.68301   0.68726   0.68830   0.69766   0.70187
 Alpha virt. eigenvalues --    0.70437   0.70928   0.71119   0.71908   0.72519
 Alpha virt. eigenvalues --    0.72875   0.73687   0.74114   0.75008   0.75557
 Alpha virt. eigenvalues --    0.76573   0.76753   0.77196   0.78088   0.78778
 Alpha virt. eigenvalues --    0.79386   0.80123   0.80849   0.81308   0.81975
 Alpha virt. eigenvalues --    0.82450   0.82860   0.83552   0.83837   0.84431
 Alpha virt. eigenvalues --    0.84856   0.85966   0.86808   0.87397   0.88118
 Alpha virt. eigenvalues --    0.88940   0.90436   0.91051   0.91983   0.92315
 Alpha virt. eigenvalues --    0.93424   0.93811   0.95319   0.96071   0.97528
 Alpha virt. eigenvalues --    0.97834   0.99013   1.00120   1.01262   1.01732
 Alpha virt. eigenvalues --    1.02110   1.02986   1.04888   1.05585   1.06437
 Alpha virt. eigenvalues --    1.07016   1.08420   1.08994   1.09843   1.10509
 Alpha virt. eigenvalues --    1.11474   1.11980   1.12357   1.12785   1.13665
 Alpha virt. eigenvalues --    1.14228   1.14559   1.15177   1.15208   1.15283
 Alpha virt. eigenvalues --    1.16839   1.17576   1.17973   1.18961   1.20351
 Alpha virt. eigenvalues --    1.22396   1.24757   1.24868   1.25312   1.27325
 Alpha virt. eigenvalues --    1.27827   1.29082   1.29640   1.30120   1.31244
 Alpha virt. eigenvalues --    1.32126   1.32610   1.33271   1.33895   1.34573
 Alpha virt. eigenvalues --    1.35318   1.36962   1.37474   1.37620   1.40040
 Alpha virt. eigenvalues --    1.40878   1.42200   1.43713   1.44917   1.45776
 Alpha virt. eigenvalues --    1.45942   1.47584   1.49297   1.51616   1.52242
 Alpha virt. eigenvalues --    1.52919   1.54464   1.55493   1.57524   1.58022
 Alpha virt. eigenvalues --    1.59865   1.61601   1.63466   1.64313   1.66104
 Alpha virt. eigenvalues --    1.66213   1.68465   1.69270   1.69660   1.72102
 Alpha virt. eigenvalues --    1.73397   1.74155   1.75232   1.75796   1.77120
 Alpha virt. eigenvalues --    1.78446   1.80448   1.80993   1.82311   1.83876
 Alpha virt. eigenvalues --    1.84646   1.86216   1.87123   1.87586   1.87813
 Alpha virt. eigenvalues --    1.88332   1.90022   1.90943   1.91012   1.93171
 Alpha virt. eigenvalues --    1.94436   1.95079   1.95992   1.97690   1.98519
 Alpha virt. eigenvalues --    1.99122   1.99700   2.00964   2.01459   2.02163
 Alpha virt. eigenvalues --    2.03788   2.04392   2.05050   2.05282   2.05826
 Alpha virt. eigenvalues --    2.07499   2.07781   2.09918   2.11002   2.11415
 Alpha virt. eigenvalues --    2.12350   2.14333   2.14771   2.15015   2.16147
 Alpha virt. eigenvalues --    2.17247   2.18352   2.18958   2.20234   2.21409
 Alpha virt. eigenvalues --    2.21775   2.23041   2.23412   2.24631   2.25547
 Alpha virt. eigenvalues --    2.26759   2.27845   2.28619   2.30103   2.31916
 Alpha virt. eigenvalues --    2.32014   2.32781   2.32921   2.35210   2.36927
 Alpha virt. eigenvalues --    2.38332   2.39751   2.40424   2.43161   2.45667
 Alpha virt. eigenvalues --    2.46696   2.47591   2.48826   2.50495   2.51852
 Alpha virt. eigenvalues --    2.53298   2.54556   2.54746   2.55653   2.58655
 Alpha virt. eigenvalues --    2.59654   2.61706   2.62235   2.64029   2.65125
 Alpha virt. eigenvalues --    2.65611   2.69226   2.71229   2.72192   2.72505
 Alpha virt. eigenvalues --    2.75077   2.75949   2.77142   2.77405   2.78251
 Alpha virt. eigenvalues --    2.79567   2.80735   2.82464   2.84054   2.88010
 Alpha virt. eigenvalues --    2.94057   2.95520   2.96653   2.98466   3.01477
 Alpha virt. eigenvalues --    3.02378   3.03113   3.05276   3.08309   3.09093
 Alpha virt. eigenvalues --    3.10005   3.13844   3.14316   3.15331   3.17053
 Alpha virt. eigenvalues --    3.18309   3.19151   3.22277   3.22642   3.25334
 Alpha virt. eigenvalues --    3.26051   3.28006   3.29567   3.30285   3.32748
 Alpha virt. eigenvalues --    3.33469   3.34075   3.36907   3.46305   3.47939
 Alpha virt. eigenvalues --    3.72149   3.76002   3.91591   4.04451
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    8.829572  -1.486592  -1.347398   0.667198   0.186844   0.124650
     2  C   -1.486592  13.089253   0.663573  -0.739763   0.715224  -1.527033
     3  C   -1.347398   0.663573   9.089725  -1.530397  -0.124324   0.255176
     4  C    0.667198  -0.739763  -1.530397  12.345486  -1.508641   0.914547
     5  C    0.186844   0.715224  -0.124324  -1.508641   9.773601  -1.318304
     6  C    0.124650  -1.527033   0.255176   0.914547  -1.318304   8.775197
     7  C   -1.192152   0.624121   0.038481   0.133907   0.033268  -1.278290
     8  C   -0.075503   0.226902   0.013409  -0.004326   0.008759  -0.076396
     9  C   -0.035074  -0.065671   0.002782  -0.005030   0.000297   0.008947
    10  C    0.005081  -0.058524   0.000024  -0.004004   0.004403  -0.042221
    11  C    0.012816   0.129058  -0.860576   0.509865  -1.142787   0.030948
    12  C    0.004767   0.020108  -0.179128  -0.017179  -0.116859  -0.007332
    13  O    0.010371  -0.003337   0.015442  -0.035066   0.020077   0.002493
    14  O    0.000860  -0.001656   0.004904   0.006039   0.005740   0.001142
    15  H    0.632862  -1.737990  -0.730414   0.054313   0.133744   0.087501
    16  H   -0.506913  -0.028318   0.581290  -1.439640   0.094380   0.127838
    17  H    0.157988  -0.076424   0.137023  -1.654620   0.594883  -0.721652
    18  H    0.083898  -1.800560   0.125406   0.008215  -0.840580   0.795955
    19  H    0.079436  -0.063045   0.006280  -0.001393   0.002299  -0.015175
    20  H    0.001947  -0.063918   0.003081   0.000004   0.006040   0.079738
    21  H    0.045527   0.041866  -0.002142  -0.000083  -0.002170   0.046789
    22  H    0.018551  -0.061140  -0.006673  -0.000563   0.000361   0.001697
    23  H    0.012489   0.027023   0.003234   0.001199   0.002834   0.001181
    24  H   -0.000445   0.011274   0.000833   0.000199  -0.000432  -0.000360
    25  H   -0.003191   0.031395   0.002173   0.001491   0.004388   0.006749
    26  H    0.000674  -0.056861   0.000325  -0.000508  -0.006230   0.013885
    27  H    0.000550   0.009929  -0.000406   0.000207   0.000594   0.001221
    28  H    0.016155  -0.002163   0.094711  -0.272310  -0.073186   0.013232
    29  C   -0.012803   0.000827  -0.045438   0.018401  -0.018330   0.003150
    30  H   -0.000497  -0.000086  -0.000818  -0.001970   0.000931  -0.000330
    31  H    0.006195   0.000646  -0.017628  -0.006139  -0.005442  -0.000329
    32  H   -0.001074   0.000329  -0.000550  -0.018295  -0.012942  -0.000110
    33  H   -0.000320  -0.000839   0.004882  -0.042092   0.038048  -0.003354
               7          8          9         10         11         12
     1  C   -1.192152  -0.075503  -0.035074   0.005081   0.012816   0.004767
     2  C    0.624121   0.226902  -0.065671  -0.058524   0.129058   0.020108
     3  C    0.038481   0.013409   0.002782   0.000024  -0.860576  -0.179128
     4  C    0.133907  -0.004326  -0.005030  -0.004004   0.509865  -0.017179
     5  C    0.033268   0.008759   0.000297   0.004403  -1.142787  -0.116859
     6  C   -1.278290  -0.076396   0.008947  -0.042221   0.030948  -0.007332
     7  C    7.390216   0.113260   0.043342   0.048512  -0.003871  -0.000481
     8  C    0.113260   5.677092   0.352758   0.352824   0.000211  -0.000091
     9  C    0.043342   0.352758   4.297517  -0.018889  -0.000090   0.000051
    10  C    0.048512   0.352824  -0.018889   4.288403  -0.000124  -0.000004
    11  C   -0.003871   0.000211  -0.000090  -0.000124   7.614641   0.411231
    12  C   -0.000481  -0.000091   0.000051  -0.000004   0.411231   4.918404
    13  O   -0.000012   0.000006  -0.000013   0.000001  -0.126575   0.203541
    14  O    0.000057   0.000006  -0.000002   0.000002  -0.077204  -0.036184
    15  H   -0.513223  -0.054066  -0.028310   0.003069   0.004053   0.007422
    16  H    0.018433   0.002881  -0.000503  -0.000479  -0.307068  -0.042345
    17  H    0.023654   0.002164  -0.000525  -0.000329  -0.462566  -0.068828
    18  H   -0.554594  -0.050424   0.003895  -0.028779   0.021119   0.003552
    19  H    0.096309   0.044188  -0.006971   0.017558  -0.000165   0.000028
    20  H    0.083667   0.046976   0.018199  -0.004859  -0.000151   0.000050
    21  H   -0.201494   0.320229  -0.047403  -0.048935   0.000001   0.000000
    22  H   -0.076545   0.082878   0.296223   0.004609  -0.000005   0.000005
    23  H   -0.086570   0.135141   0.147540  -0.010945  -0.000019  -0.000003
    24  H    0.036875   0.152607   0.200415  -0.011255   0.000015  -0.000002
    25  H   -0.077657   0.132270  -0.011658   0.156134   0.000030  -0.000006
    26  H   -0.070936   0.079677   0.005096   0.300201  -0.000003  -0.000000
    27  H    0.032216   0.156949  -0.011828   0.198196   0.000003   0.000001
    28  H   -0.000019  -0.000009   0.000018  -0.000028   0.184901  -0.164717
    29  C   -0.000103   0.000048  -0.000044   0.000014   0.332914  -0.000010
    30  H    0.000001   0.000000  -0.000000   0.000000   0.015273   0.132748
    31  H   -0.000029   0.000002   0.000014  -0.000002   0.093625  -0.000447
    32  H   -0.000002   0.000001   0.000000  -0.000001   0.170828  -0.005950
    33  H    0.000025  -0.000003   0.000006   0.000000   0.108339   0.007270
              13         14         15         16         17         18
     1  C    0.010371   0.000860   0.632862  -0.506913   0.157988   0.083898
     2  C   -0.003337  -0.001656  -1.737990  -0.028318  -0.076424  -1.800560
     3  C    0.015442   0.004904  -0.730414   0.581290   0.137023   0.125406
     4  C   -0.035066   0.006039   0.054313  -1.439640  -1.654620   0.008215
     5  C    0.020077   0.005740   0.133744   0.094380   0.594883  -0.840580
     6  C    0.002493   0.001142   0.087501   0.127838  -0.721652   0.795955
     7  C   -0.000012   0.000057  -0.513223   0.018433   0.023654  -0.554594
     8  C    0.000006   0.000006  -0.054066   0.002881   0.002164  -0.050424
     9  C   -0.000013  -0.000002  -0.028310  -0.000503  -0.000525   0.003895
    10  C    0.000001   0.000002   0.003069  -0.000479  -0.000329  -0.028779
    11  C   -0.126575  -0.077204   0.004053  -0.307068  -0.462566   0.021119
    12  C    0.203541  -0.036184   0.007422  -0.042345  -0.068828   0.003552
    13  O    8.425295   0.002825  -0.000548   0.020394   0.007341  -0.000233
    14  O    0.002825   8.381735  -0.000429   0.004206  -0.003681   0.000012
    15  H   -0.000548  -0.000429   3.362865  -0.783539  -0.023617   0.078582
    16  H    0.020394   0.004206  -0.783539   2.688195   0.056017  -0.020743
    17  H    0.007341  -0.003681  -0.023617   0.056017   3.223912  -0.964040
    18  H   -0.000233   0.000012   0.078582  -0.020743  -0.964040   3.535844
    19  H   -0.000003  -0.000009   0.013617  -0.000129  -0.000367   0.010762
    20  H   -0.000009  -0.000001   0.003122   0.000132   0.000169   0.010306
    21  H    0.000000  -0.000000   0.012794  -0.000110  -0.000124   0.013100
    22  H   -0.000001  -0.000000   0.006152  -0.000943  -0.000008   0.000699
    23  H    0.000007   0.000004   0.006988   0.001311  -0.000171   0.002084
    24  H    0.000000   0.000000  -0.003014   0.000046   0.000003   0.000016
    25  H    0.000002   0.000005   0.000515  -0.000087   0.001796   0.004505
    26  H    0.000000   0.000000   0.000584  -0.000007  -0.000887   0.006541
    27  H   -0.000000  -0.000000   0.000209  -0.000002   0.000050  -0.002658
    28  H    0.006225  -0.066186  -0.000338   0.015483   0.030885  -0.001714
    29  C    0.005986   0.025087  -0.000612   0.005891  -0.036510   0.001019
    30  H   -0.061467   0.147919  -0.000005   0.000431   0.000400  -0.000016
    31  H    0.013025   0.000158   0.000794  -0.007729  -0.001684   0.000147
    32  H   -0.003202   0.003542  -0.000070   0.004589  -0.005204   0.000047
    33  H    0.004722  -0.000068   0.000192  -0.008822   0.017114  -0.000815
              19         20         21         22         23         24
     1  C    0.079436   0.001947   0.045527   0.018551   0.012489  -0.000445
     2  C   -0.063045  -0.063918   0.041866  -0.061140   0.027023   0.011274
     3  C    0.006280   0.003081  -0.002142  -0.006673   0.003234   0.000833
     4  C   -0.001393   0.000004  -0.000083  -0.000563   0.001199   0.000199
     5  C    0.002299   0.006040  -0.002170   0.000361   0.002834  -0.000432
     6  C   -0.015175   0.079738   0.046789   0.001697   0.001181  -0.000360
     7  C    0.096309   0.083667  -0.201494  -0.076545  -0.086570   0.036875
     8  C    0.044188   0.046976   0.320229   0.082878   0.135141   0.152607
     9  C   -0.006971   0.018199  -0.047403   0.296223   0.147540   0.200415
    10  C    0.017558  -0.004859  -0.048935   0.004609  -0.010945  -0.011255
    11  C   -0.000165  -0.000151   0.000001  -0.000005  -0.000019   0.000015
    12  C    0.000028   0.000050   0.000000   0.000005  -0.000003  -0.000002
    13  O   -0.000003  -0.000009   0.000000  -0.000001   0.000007   0.000000
    14  O   -0.000009  -0.000001  -0.000000  -0.000000   0.000004   0.000000
    15  H    0.013617   0.003122   0.012794   0.006152   0.006988  -0.003014
    16  H   -0.000129   0.000132  -0.000110  -0.000943   0.001311   0.000046
    17  H   -0.000367   0.000169  -0.000124  -0.000008  -0.000171   0.000003
    18  H    0.010762   0.010306   0.013100   0.000699   0.002084   0.000016
    19  H    0.924235  -0.240092  -0.018266  -0.009041   0.006187   0.001046
    20  H   -0.240092   0.921549  -0.017243   0.036890  -0.013633  -0.004648
    21  H   -0.018266  -0.017243   1.195653  -0.014016   0.010339   0.015289
    22  H   -0.009041   0.036890  -0.014016   0.823618   0.034557  -0.159993
    23  H    0.006187  -0.013633   0.010339   0.034557   0.697872  -0.096115
    24  H    0.001046  -0.004648   0.015289  -0.159993  -0.096115   0.985891
    25  H   -0.013263   0.006522   0.009908  -0.003179   0.028513  -0.017886
    26  H    0.036637  -0.008321  -0.015151  -0.003407  -0.003328   0.005587
    27  H   -0.004433   0.000486   0.017109   0.005338  -0.018158   0.007258
    28  H   -0.000012   0.000005   0.000000   0.000000   0.000007   0.000000
    29  C    0.000005  -0.000009  -0.000001  -0.000005   0.000032  -0.000000
    30  H    0.000000  -0.000000   0.000000  -0.000000  -0.000000  -0.000000
    31  H   -0.000001   0.000000   0.000000   0.000001   0.000001  -0.000000
    32  H   -0.000000   0.000000   0.000000  -0.000000  -0.000001  -0.000000
    33  H   -0.000000   0.000001  -0.000000  -0.000000   0.000015   0.000000
              25         26         27         28         29         30
     1  C   -0.003191   0.000674   0.000550   0.016155  -0.012803  -0.000497
     2  C    0.031395  -0.056861   0.009929  -0.002163   0.000827  -0.000086
     3  C    0.002173   0.000325  -0.000406   0.094711  -0.045438  -0.000818
     4  C    0.001491  -0.000508   0.000207  -0.272310   0.018401  -0.001970
     5  C    0.004388  -0.006230   0.000594  -0.073186  -0.018330   0.000931
     6  C    0.006749   0.013885   0.001221   0.013232   0.003150  -0.000330
     7  C   -0.077657  -0.070936   0.032216  -0.000019  -0.000103   0.000001
     8  C    0.132270   0.079677   0.156949  -0.000009   0.000048   0.000000
     9  C   -0.011658   0.005096  -0.011828   0.000018  -0.000044  -0.000000
    10  C    0.156134   0.300201   0.198196  -0.000028   0.000014   0.000000
    11  C    0.000030  -0.000003   0.000003   0.184901   0.332914   0.015273
    12  C   -0.000006  -0.000000   0.000001  -0.164717  -0.000010   0.132748
    13  O    0.000002   0.000000  -0.000000   0.006225   0.005986  -0.061467
    14  O    0.000005   0.000000  -0.000000  -0.066186   0.025087   0.147919
    15  H    0.000515   0.000584   0.000209  -0.000338  -0.000612  -0.000005
    16  H   -0.000087  -0.000007  -0.000002   0.015483   0.005891   0.000431
    17  H    0.001796  -0.000887   0.000050   0.030885  -0.036510   0.000400
    18  H    0.004505   0.006541  -0.002658  -0.001714   0.001019  -0.000016
    19  H   -0.013263   0.036637  -0.004433  -0.000012   0.000005   0.000000
    20  H    0.006522  -0.008321   0.000486   0.000005  -0.000009  -0.000000
    21  H    0.009908  -0.015151   0.017109   0.000000  -0.000001   0.000000
    22  H   -0.003179  -0.003407   0.005338   0.000000  -0.000005  -0.000000
    23  H    0.028513  -0.003328  -0.018158   0.000007   0.000032  -0.000000
    24  H   -0.017886   0.005587   0.007258   0.000000  -0.000000  -0.000000
    25  H    0.696120   0.031244  -0.090854   0.000020   0.000001  -0.000000
    26  H    0.031244   0.819319  -0.150769  -0.000000  -0.000001   0.000000
    27  H   -0.090854  -0.150769   0.958389   0.000000  -0.000001   0.000000
    28  H    0.000020  -0.000000   0.000000   1.293305  -0.204631  -0.005126
    29  C    0.000001  -0.000001  -0.000001  -0.204631   4.300048   0.001495
    30  H   -0.000000   0.000000   0.000000  -0.005126   0.001495   0.587463
    31  H   -0.000001   0.000000  -0.000000  -0.005522   0.299898  -0.000064
    32  H   -0.000001  -0.000000  -0.000000   0.007747   0.205143   0.000146
    33  H    0.000043  -0.000000  -0.000000   0.022428   0.181904  -0.000202
              31         32         33
     1  C    0.006195  -0.001074  -0.000320
     2  C    0.000646   0.000329  -0.000839
     3  C   -0.017628  -0.000550   0.004882
     4  C   -0.006139  -0.018295  -0.042092
     5  C   -0.005442  -0.012942   0.038048
     6  C   -0.000329  -0.000110  -0.003354
     7  C   -0.000029  -0.000002   0.000025
     8  C    0.000002   0.000001  -0.000003
     9  C    0.000014   0.000000   0.000006
    10  C   -0.000002  -0.000001   0.000000
    11  C    0.093625   0.170828   0.108339
    12  C   -0.000447  -0.005950   0.007270
    13  O    0.013025  -0.003202   0.004722
    14  O    0.000158   0.003542  -0.000068
    15  H    0.000794  -0.000070   0.000192
    16  H   -0.007729   0.004589  -0.008822
    17  H   -0.001684  -0.005204   0.017114
    18  H    0.000147   0.000047  -0.000815
    19  H   -0.000001  -0.000000  -0.000000
    20  H    0.000000   0.000000   0.000001
    21  H    0.000000   0.000000  -0.000000
    22  H    0.000001  -0.000000  -0.000000
    23  H    0.000001  -0.000001   0.000015
    24  H   -0.000000  -0.000000   0.000000
    25  H   -0.000001  -0.000001   0.000043
    26  H    0.000000  -0.000000  -0.000000
    27  H   -0.000000  -0.000000  -0.000000
    28  H   -0.005522   0.007747   0.022428
    29  C    0.299898   0.205143   0.181904
    30  H   -0.000064   0.000146  -0.000202
    31  H    0.572443   0.020305  -0.001253
    32  H    0.020305   0.619812  -0.063311
    33  H   -0.001253  -0.063311   0.715411
 Mulliken charges:
               1
     1  C   -0.236467
     2  C   -1.817608
     3  C   -0.196860
     4  C   -1.379052
     5  C   -0.456490
     6  C   -0.301151
     7  C    1.339636
     8  C   -1.640421
     9  C    0.854913
    10  C    0.850348
    11  C   -0.658666
    12  C    0.930389
    13  O   -0.507288
    14  O   -0.398823
    15  H    0.466794
    16  H    0.525862
    17  H    0.767834
    18  H    0.559452
    19  H    0.133773
    20  H    0.134000
    21  H   -0.361465
    22  H    0.023938
    23  H    0.110386
    24  H   -0.123206
    25  H    0.103959
    26  H    0.016641
    27  H   -0.109595
    28  H    0.110840
    29  C    0.936634
    30  H    0.183774
    31  H    0.039017
    32  H    0.078221
    33  H    0.020680
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.230327
     2  C   -1.817608
     3  C    0.329002
     4  C   -1.379052
     5  C    0.311345
     6  C    0.258301
     7  C    1.607409
     8  C   -2.001886
     9  C    0.866032
    10  C    0.861353
    11  C   -0.547825
    12  C    0.930389
    13  O   -0.507288
    14  O   -0.215049
    29  C    1.074552
 Electronic spatial extent (au):  <R**2>=           4407.4453
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.2066    Y=             -1.2804    Z=              0.4580  Tot=              1.8180
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -88.9774   YY=            -92.8649   ZZ=            -89.0203
   XY=             -5.6792   XZ=              2.5588   YZ=              0.1046
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              1.3101   YY=             -2.5773   ZZ=              1.2672
   XY=             -5.6792   XZ=              2.5588   YZ=              0.1046
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             18.1974  YYY=             -4.8684  ZZZ=            -10.7048  XYY=             -4.1228
  XXY=            -33.2488  XXZ=             -9.2839  XZZ=             23.3664  YZZ=             -2.4927
  YYZ=              1.2407  XYZ=             11.7580
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -4532.9264 YYYY=           -654.3271 ZZZZ=           -579.5499 XXXY=           -157.6582
 XXXZ=            -67.2990 YYYX=              7.4102 YYYZ=            -10.5828 ZZZX=            -37.3262
 ZZZY=              6.7027 XXYY=           -928.2419 XXZZ=           -803.1150 YYZZ=           -202.3322
 XXYZ=             65.4258 YYXZ=              1.5454 ZZXY=            -33.2625
 N-N= 9.813260648495D+02 E-N=-3.485092422021D+03  KE= 6.487227551405D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Wed Sep  8 14:24:39 2021, MaxMem=  6442450944 cpu:               4.6 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-4.50097753D-01-5.00508118D-01 1.46420811D-01
 Polarizability= 2.00170733D+02 5.59379819D+00 1.44712840D+02
                 7.08171403D+00-8.33210072D+00 1.30555475D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -3.8663   -3.8622        3.1044    3.1084
 2      3.8663    3.8622        4.3640    4.3651      -28.6038  -28.6027
 3     -3.1044   -3.1084       35.9898   35.9896       -4.3651   -4.3651
 4     -4.3640   -4.3651        0.0000    0.0000       -3.1091   -3.1084
 5     -7.3861   -7.3869        3.1091    3.1084       -3.8648   -3.8622
 6      4.3651    4.3651        3.8648    3.8622        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       11.5866   11.5866        9.3253    9.3253
 2    -13.0954  -13.0954       -0.0000    0.0000        9.3253    9.3253
 3    -13.0954  -13.0954       11.5866   11.5866        0.0000    0.0000
 4     11.5866   11.5866       13.0954   13.0954      -85.8081  -85.8081
 5     -9.3253   -9.3253      107.9687  107.9687      -13.0954  -13.0954
 6    -22.1606  -22.1606        9.3253    9.3253      -11.5866  -11.5866
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.9171    0.0000       17.9631   15.4488      -11.1464  -12.4337
 2    -15.5578  -15.4488      -17.9967  -17.4606      114.6973  114.4108
 3     12.4583   12.4337     -145.2385 -143.9583       18.7931   17.4606
 4     17.2832   17.4606        0.3643    0.0000       12.4447   12.4337
 5     29.4923   29.5475      -12.3950  -12.4337       15.0665   15.4488
 6    -17.4304  -17.4606      -15.1921  -15.4488        0.0167    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.2139    0.0000      -34.9791  -34.8238        6.3792    6.0730
 2     34.8288   34.8238       -0.9213   -0.6535       -3.8511   -4.8429
 3     -5.5048   -6.0730      -48.1850  -46.5047        1.5360    0.6535
 4      0.7127    0.6535       -0.4031    0.0000       -5.6309   -6.0730
 5     50.2409   51.3475        6.6306    6.0730      -35.3673  -34.8238
 6     -0.8786   -0.6535       35.2183   34.8238       -0.6906    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -23.9276  -24.0819       -3.9832   -3.3926       -7.2136   -7.0212
 2    -10.9661  -11.3849      -20.0001  -19.7429       -6.6307   -7.0212
 3    -10.9821  -11.3849       -3.7655   -3.3926      -38.9230  -39.5111
 4     16.9690   16.3503      -14.0585  -12.6970      -32.8739  -34.0874
 5    -32.8587  -32.4899      -51.6883  -50.8873       12.7213   12.6970
 6     83.1189   84.9747       33.9215   32.4899      -17.5541  -16.3503
 Full mass-weighted force constant matrix:
 Low frequencies ---   -1.4258   -0.0005   -0.0002    0.0009    3.0505    6.3961
 Low frequencies ---   24.3732   38.9708   49.6399
 Diagonal vibrational polarizability:
       39.0913618      10.5427820      24.2879651
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     24.3636                38.9700                49.6342
 Red. masses --      4.0405                 7.6098                 3.6306
 Frc consts  --      0.0014                 0.0068                 0.0053
 IR Inten    --      0.1630                 1.5795                 0.2838
 RamAct Fr= 1--      0.3904                 1.0451                 2.0498
  Dep-P Fr= 1--      0.7411                 0.7500                 0.7308
  Dep-U Fr= 1--      0.8513                 0.8571                 0.8445
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0007
 Beta2  Fr= 1--      0.0554                 0.1493                 0.2885
 AlphaG Fr= 1--     -0.0003                 0.0000                 0.0012
 Gamma2 Fr= 1--     -0.0821                -0.7999                 0.6898
 Delta2 Fr= 1--     -0.1092                -0.2881                -0.2378
 Raman1 Fr= 1--       1.561                  4.180                  8.199
 ROA1   Fr= 1--     -11.379                -86.013                 58.609
 CID1   Fr= 1--      -7.288                -20.575                  7.148
 Raman2 Fr= 1--       0.665                  1.792                  3.462
 ROA2   Fr= 1--      -1.098                -16.893                 18.457
 CID2   Fr= 1--      -1.652                 -9.429                  5.331
 Raman3 Fr= 1--       1.329                  3.583                  6.924
 ROA3   Fr= 1--     -11.379                -86.013                 58.609
 CID3   Fr= 1--      -8.561                -24.004                  8.464
 RC180  Fr= 1--       0.703                  0.714                  0.689
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.10  -0.03    -0.02  -0.02  -0.06     0.03  -0.09  -0.17
     2   6    -0.01  -0.08   0.02    -0.03  -0.00  -0.05    -0.01  -0.02  -0.05
     3   6     0.01  -0.10  -0.05    -0.01  -0.04  -0.08     0.03  -0.09  -0.18
     4   6     0.00  -0.08  -0.02    -0.02  -0.05  -0.08    -0.01  -0.01  -0.06
     5   6    -0.01  -0.06   0.03    -0.03  -0.04  -0.09    -0.05   0.05   0.05
     6   6    -0.02  -0.05   0.05    -0.04  -0.02  -0.08    -0.05   0.04   0.06
     7   6    -0.02  -0.07   0.05    -0.05   0.05   0.00    -0.03   0.02  -0.00
     8   6     0.01   0.05   0.01     0.01   0.06   0.07     0.02   0.03   0.05
     9   6     0.04   0.06  -0.16     0.08   0.05   0.11     0.17  -0.00   0.18
    10   6     0.04   0.19   0.08     0.03   0.02   0.05    -0.06  -0.08  -0.02
    11   6     0.00  -0.07  -0.02    -0.04  -0.05  -0.03    -0.03   0.03  -0.01
    12   6    -0.00   0.08  -0.01     0.01   0.01   0.02     0.02   0.02   0.03
    13   8    -0.03   0.14   0.10    -0.28   0.04  -0.16     0.12   0.02   0.11
    14   8     0.03   0.14  -0.13     0.43   0.01   0.29    -0.04   0.03  -0.02
    15   1     0.01  -0.12  -0.06    -0.01  -0.00  -0.05     0.06  -0.14  -0.25
    16   1     0.02  -0.12  -0.08     0.00  -0.05  -0.08     0.06  -0.13  -0.26
    17   1    -0.01  -0.04   0.06    -0.04  -0.05  -0.09    -0.08   0.10   0.14
    18   1    -0.03  -0.03   0.10    -0.05  -0.01  -0.07    -0.08   0.09   0.15
    19   1    -0.06  -0.08   0.15    -0.10   0.06  -0.01    -0.07   0.03  -0.01
    20   1    -0.02  -0.16   0.01    -0.08   0.08   0.02    -0.05   0.04   0.01
    21   1    -0.00   0.01   0.05    -0.02   0.12   0.10     0.01   0.17   0.02
    22   1     0.02  -0.04  -0.21     0.06   0.08   0.13     0.23   0.08   0.23
    23   1     0.05   0.10  -0.20     0.11  -0.01   0.08     0.19  -0.15   0.21
    24   1     0.06   0.14  -0.19     0.12   0.06   0.15     0.21   0.02   0.22
    25   1     0.06   0.24   0.04     0.06  -0.03   0.02    -0.06  -0.22   0.01
    26   1     0.02   0.19   0.21    -0.01   0.03   0.02    -0.17  -0.06  -0.11
    27   1     0.07   0.27   0.06     0.07   0.04   0.09    -0.03  -0.06   0.01
    28   1     0.05  -0.11  -0.11    -0.04  -0.05  -0.03    -0.03   0.04   0.01
    29   6    -0.05  -0.15   0.08    -0.10  -0.05  -0.01    -0.11   0.05  -0.03
    30   1     0.03   0.24  -0.12     0.43   0.03   0.30     0.01   0.03   0.02
    31   1    -0.11  -0.12   0.17    -0.08  -0.05  -0.01    -0.12   0.03  -0.05
    32   1    -0.05  -0.13   0.08    -0.12  -0.05   0.06    -0.13   0.09   0.01
    33   1    -0.04  -0.26   0.08    -0.15  -0.07  -0.05    -0.14   0.04  -0.05
                      4                      5                      6
                      A                      A                      A
 Frequencies --     56.3903                86.2246               102.5193
 Red. masses --      3.8167                 3.6635                 3.9609
 Frc consts  --      0.0072                 0.0160                 0.0245
 IR Inten    --      0.4883                 0.0549                 0.1244
 RamAct Fr= 1--      0.9590                 1.9516                 2.8332
  Dep-P Fr= 1--      0.7476                 0.6884                 0.6830
  Dep-U Fr= 1--      0.8556                 0.8154                 0.8116
 Alpha2 Fr= 1--      0.0000                 0.0021                 0.0033
 Beta2  Fr= 1--      0.1368                 0.2652                 0.3832
 AlphaG Fr= 1--      0.0002                -0.0018                 0.0038
 Gamma2 Fr= 1--     -0.1209                -0.8694                 0.7128
 Delta2 Fr= 1--      0.2112                -0.1364                 0.3792
 Raman1 Fr= 1--       3.836                  7.807                 11.333
 ROA1   Fr= 1--      -4.849                -87.829                 80.558
 CID1   Fr= 1--      -1.264                -11.251                  7.109
 Raman2 Fr= 1--       1.641                  3.183                  4.599
 ROA2   Fr= 1--      -4.591                -19.775                 14.073
 CID2   Fr= 1--      -2.797                 -6.213                  3.060
 Raman3 Fr= 1--       3.282                  6.366                  9.198
 ROA3   Fr= 1--      -4.849                -87.829                 80.558
 CID3   Fr= 1--      -1.477                -13.797                  8.758
 RC180  Fr= 1--       0.711                  0.631                  0.623
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.01  -0.02    -0.02  -0.03   0.06     0.08  -0.01  -0.12
     2   6    -0.02  -0.03  -0.08     0.03  -0.09  -0.02     0.04   0.03  -0.09
     3   6    -0.05   0.03  -0.01    -0.05   0.01   0.11     0.05  -0.01  -0.04
     4   6    -0.03  -0.00  -0.06    -0.02  -0.01   0.07    -0.03   0.03   0.07
     5   6     0.01  -0.06  -0.15     0.04  -0.08  -0.03    -0.07   0.08   0.11
     6   6     0.02  -0.07  -0.17     0.05  -0.11  -0.07    -0.04   0.07   0.03
     7   6    -0.04  -0.01  -0.00     0.03  -0.06  -0.01     0.05   0.05  -0.09
     8   6     0.04  -0.01   0.09     0.09   0.06  -0.03     0.08  -0.04   0.01
     9   6    -0.02   0.01  -0.01     0.28   0.03   0.02     0.01  -0.03   0.01
    10   6     0.23   0.06   0.14    -0.03   0.04  -0.05     0.26  -0.05   0.01
    11   6    -0.06   0.04   0.01    -0.02   0.04   0.05    -0.03  -0.02   0.07
    12   6     0.01  -0.01   0.06    -0.09   0.02  -0.01    -0.11  -0.01   0.01
    13   8     0.13  -0.04   0.11    -0.14   0.02  -0.06    -0.19  -0.00  -0.05
    14   8    -0.07  -0.03   0.06    -0.13   0.01  -0.01    -0.12  -0.01  -0.01
    15   1    -0.07   0.04   0.03    -0.04  -0.01   0.10     0.14  -0.05  -0.19
    16   1    -0.08   0.07   0.05    -0.08   0.06   0.18     0.10  -0.06  -0.07
    17   1     0.04  -0.08  -0.20     0.07  -0.10  -0.08    -0.13   0.11   0.19
    18   1     0.05  -0.10  -0.22     0.09  -0.16  -0.14    -0.08   0.11   0.05
    19   1    -0.06  -0.00   0.01    -0.04  -0.05   0.06     0.05   0.06  -0.17
    20   1    -0.11   0.01   0.01     0.04  -0.11  -0.04     0.02   0.14  -0.05
    21   1    -0.01  -0.08   0.21     0.08   0.20  -0.05     0.05  -0.10   0.10
    22   1    -0.16  -0.04  -0.04     0.43   0.06   0.03    -0.16  -0.02   0.01
    23   1     0.03   0.08  -0.13     0.27  -0.11   0.10     0.06   0.02  -0.12
    24   1     0.03   0.00   0.06     0.29   0.13  -0.03     0.06  -0.09   0.12
    25   1     0.29   0.15   0.02    -0.00  -0.13  -0.05     0.28   0.07  -0.04
    26   1     0.29   0.05   0.22    -0.21   0.07  -0.08     0.39  -0.08   0.02
    27   1     0.28   0.05   0.20     0.04   0.15  -0.03     0.25  -0.16   0.06
    28   1    -0.08   0.07   0.07     0.02   0.07   0.08    -0.03  -0.04   0.03
    29   6    -0.13   0.09  -0.03    -0.01   0.09  -0.00     0.04  -0.05   0.09
    30   1    -0.01  -0.07   0.09    -0.19  -0.00  -0.06    -0.20  -0.00  -0.07
    31   1    -0.10   0.07  -0.09    -0.05   0.06  -0.03     0.03  -0.03   0.13
    32   1    -0.15   0.11   0.02     0.00   0.13  -0.04     0.05  -0.08   0.05
    33   1    -0.18   0.12  -0.07     0.02   0.11   0.03     0.07  -0.06   0.12
                      7                      8                      9
                      A                      A                      A
 Frequencies --    173.0545               210.6918               224.3845
 Red. masses --      3.2369                 2.9850                 1.1698
 Frc consts  --      0.0571                 0.0781                 0.0347
 IR Inten    --      0.1072                 0.3234                 0.2397
 RamAct Fr= 1--      0.4885                 0.2477                 0.2856
  Dep-P Fr= 1--      0.6443                 0.6964                 0.3030
  Dep-U Fr= 1--      0.7837                 0.8210                 0.4651
 Alpha2 Fr= 1--      0.0009                 0.0002                 0.0029
 Beta2  Fr= 1--      0.0638                 0.0339                 0.0221
 AlphaG Fr= 1--     -0.0029                -0.0010                -0.0004
 Gamma2 Fr= 1--      0.6871                -0.0064                 0.2780
 Delta2 Fr= 1--      0.3147                 0.1043                 0.1701
 Raman1 Fr= 1--       1.954                  0.991                  1.142
 ROA1   Fr= 1--      76.035                  2.728                 32.128
 CID1   Fr= 1--      38.912                  2.753                 28.123
 Raman2 Fr= 1--       0.766                  0.407                  0.266
 ROA2   Fr= 1--      13.974                 -0.987                  5.311
 CID2   Fr= 1--      18.250                 -2.427                 19.989
 Raman3 Fr= 1--       1.531                  0.813                  0.531
 ROA3   Fr= 1--      76.035                  2.728                 32.128
 CID3   Fr= 1--      49.652                  3.353                 60.463
 RC180  Fr= 1--       0.567                  0.642                 -0.070
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.04  -0.05     0.07  -0.00  -0.09    -0.02   0.01   0.04
     2   6    -0.05  -0.01  -0.05     0.06   0.02  -0.01    -0.01   0.00   0.02
     3   6    -0.11   0.13  -0.02     0.09   0.01  -0.11    -0.01   0.00   0.03
     4   6    -0.06   0.15  -0.02     0.07   0.04  -0.06    -0.01  -0.01   0.00
     5   6    -0.03   0.13  -0.01     0.11   0.01  -0.10    -0.02   0.00   0.03
     6   6    -0.01   0.04  -0.02     0.10   0.00  -0.07    -0.02   0.01   0.04
     7   6    -0.06  -0.12  -0.00     0.03  -0.02   0.08     0.01  -0.00  -0.01
     8   6     0.00  -0.05   0.01    -0.02  -0.01   0.04     0.01  -0.00  -0.01
     9   6     0.13  -0.06  -0.04    -0.07  -0.00   0.01     0.03  -0.01  -0.01
    10   6     0.00  -0.01   0.04    -0.12   0.03   0.06     0.03  -0.01  -0.02
    11   6    -0.04   0.02  -0.04     0.02   0.03   0.05    -0.01  -0.02  -0.01
    12   6     0.01  -0.00  -0.01    -0.02   0.01   0.03     0.00  -0.01  -0.01
    13   8     0.07  -0.02   0.01    -0.06  -0.01  -0.06    -0.00   0.00   0.01
    14   8     0.03  -0.02   0.04    -0.11  -0.02   0.05     0.02   0.01  -0.03
    15   1    -0.14   0.01  -0.06     0.06  -0.02  -0.10    -0.02   0.02   0.05
    16   1    -0.16   0.16  -0.03     0.09  -0.00  -0.14    -0.01   0.01   0.03
    17   1     0.00   0.15   0.00     0.13   0.01  -0.12    -0.02   0.00   0.03
    18   1     0.03   0.02  -0.00     0.11  -0.01  -0.07    -0.03   0.02   0.04
    19   1    -0.03  -0.15   0.12     0.06  -0.03   0.14     0.01   0.00  -0.02
    20   1    -0.13  -0.22  -0.04    -0.03  -0.07   0.06     0.03   0.01  -0.01
    21   1    -0.03   0.00   0.05     0.02  -0.04  -0.01     0.01   0.00  -0.00
    22   1     0.21  -0.10  -0.05     0.04  -0.04  -0.00     0.02  -0.00  -0.01
    23   1     0.13  -0.13  -0.01    -0.14   0.04   0.12     0.04  -0.02  -0.03
    24   1     0.15   0.03  -0.08    -0.16   0.00  -0.11     0.04   0.00   0.00
    25   1     0.06  -0.11  -0.03    -0.14  -0.01   0.11     0.03   0.01  -0.02
    26   1    -0.14   0.01   0.08    -0.19   0.04   0.09     0.06  -0.02  -0.02
    27   1     0.10   0.12   0.08    -0.13   0.10   0.01     0.03  -0.04  -0.01
    28   1    -0.13  -0.05  -0.13    -0.02   0.00   0.01    -0.01  -0.01   0.00
    29   6     0.15  -0.13   0.10    -0.04  -0.04   0.14    -0.03   0.01  -0.04
    30   1     0.09  -0.05   0.08    -0.21  -0.08  -0.04     0.02   0.04  -0.03
    31   1     0.30  -0.03   0.23     0.29   0.02   0.13     0.50   0.02  -0.21
    32   1     0.16  -0.35   0.09    -0.15  -0.26   0.44    -0.19  -0.30   0.39
    33   1     0.15  -0.12   0.10    -0.29   0.05  -0.07    -0.42   0.31  -0.33
                     10                     11                     12
                      A                      A                      A
 Frequencies --    239.9932               247.0869               267.3892
 Red. masses --      2.3220                 1.2055                 1.0597
 Frc consts  --      0.0788                 0.0434                 0.0446
 IR Inten    --      0.4739                 0.3846                 0.2657
 RamAct Fr= 1--      1.7919                 0.7992                 1.8592
  Dep-P Fr= 1--      0.3437                 0.3049                 0.2600
  Dep-U Fr= 1--      0.5116                 0.4673                 0.4127
 Alpha2 Fr= 1--      0.0161                 0.0081                 0.0214
 Beta2  Fr= 1--      0.1528                 0.0623                 0.1279
 AlphaG Fr= 1--      0.0193                -0.0329                -0.0047
 Gamma2 Fr= 1--     -1.1563                -0.1012                -0.0084
 Delta2 Fr= 1--     -0.3554                 0.1281                 0.0483
 Raman1 Fr= 1--       7.168                  3.197                  7.437
 ROA1   Fr= 1--    -122.380                 -5.620                  0.740
 CID1   Fr= 1--     -17.074                 -1.758                  0.100
 Raman2 Fr= 1--       1.833                  0.747                  1.535
 ROA2   Fr= 1--     -24.908                 -3.454                 -0.588
 CID2   Fr= 1--     -13.586                 -4.624                 -0.383
 Raman3 Fr= 1--       3.667                  1.494                  3.069
 ROA3   Fr= 1--    -122.380                 -5.620                  0.740
 CID3   Fr= 1--     -33.376                 -3.762                  0.241
 RC180  Fr= 1--       0.023                 -0.065                 -0.175
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.09  -0.07    -0.02   0.01   0.02    -0.00  -0.00  -0.01
     2   6    -0.02  -0.07  -0.06     0.00  -0.00   0.02     0.00  -0.01  -0.02
     3   6    -0.01  -0.05  -0.01    -0.01   0.02   0.00    -0.01   0.00  -0.00
     4   6    -0.01   0.00   0.05     0.01   0.01  -0.02    -0.01   0.00   0.00
     5   6    -0.01  -0.04  -0.02     0.02   0.01  -0.01    -0.01   0.00  -0.00
     6   6     0.01  -0.07  -0.07     0.01   0.00   0.02    -0.01  -0.00  -0.01
     7   6    -0.05   0.02  -0.01     0.01  -0.01   0.01     0.00  -0.01  -0.00
     8   6    -0.03   0.04   0.01     0.01   0.00  -0.01     0.01  -0.00   0.00
     9   6    -0.05   0.04   0.04     0.05  -0.00  -0.01     0.01  -0.01   0.02
    10   6    -0.06   0.03   0.00    -0.03   0.00  -0.01     0.01   0.02   0.01
    11   6     0.01   0.02   0.05    -0.00   0.01  -0.02    -0.01  -0.01  -0.00
    12   6    -0.01   0.01   0.03     0.01   0.01  -0.01    -0.01  -0.01   0.00
    13   8    -0.02   0.03   0.07     0.02  -0.01  -0.04    -0.01   0.00   0.02
    14   8     0.01   0.03   0.01    -0.01  -0.01   0.01     0.01   0.00  -0.00
    15   1     0.02  -0.11  -0.10    -0.03   0.00   0.02    -0.01  -0.00  -0.01
    16   1    -0.03  -0.04  -0.02    -0.02   0.03   0.00    -0.01   0.00   0.00
    17   1    -0.01  -0.04  -0.02     0.04   0.01  -0.02    -0.01   0.00   0.00
    18   1     0.03  -0.09  -0.08     0.02   0.00   0.03    -0.01  -0.00  -0.01
    19   1    -0.11   0.04  -0.04     0.01  -0.01   0.02    -0.00  -0.01   0.00
    20   1    -0.04   0.05   0.00     0.02  -0.03   0.00    -0.01  -0.01  -0.00
    21   1    -0.03   0.05   0.00     0.01   0.02  -0.02     0.02  -0.01  -0.01
    22   1    -0.36   0.10   0.07    -0.29   0.04   0.01     0.42  -0.03   0.01
    23   1     0.08   0.06  -0.21     0.23  -0.03  -0.32    -0.17  -0.04   0.39
    24   1     0.10  -0.04   0.30     0.26  -0.03   0.30    -0.20   0.05  -0.31
    25   1    -0.12   0.14   0.09    -0.19   0.33   0.19    -0.13   0.37   0.17
    26   1     0.09   0.00  -0.02     0.37  -0.06  -0.03     0.41  -0.05   0.03
    27   1    -0.17  -0.08  -0.07    -0.30  -0.27  -0.19    -0.25  -0.24  -0.15
    28   1    -0.00   0.02   0.06    -0.00   0.00  -0.04    -0.02  -0.01   0.00
    29   6     0.22   0.06  -0.03    -0.06  -0.03   0.04     0.02   0.00  -0.02
    30   1     0.02   0.06   0.02    -0.02  -0.04   0.01     0.02   0.02   0.01
    31   1     0.45   0.06  -0.11    -0.11  -0.01   0.09     0.03  -0.00  -0.03
    32   1     0.23  -0.15  -0.04    -0.07   0.00   0.05     0.03  -0.01  -0.04
    33   1     0.20   0.29  -0.01    -0.06  -0.11   0.02     0.04   0.03  -0.00
                     13                     14                     15
                      A                      A                      A
 Frequencies --    280.3685               339.0597               356.4922
 Red. masses --      3.4970                 3.9325                 3.0102
 Frc consts  --      0.1620                 0.2664                 0.2254
 IR Inten    --      0.9761                 1.2175                 0.5534
 RamAct Fr= 1--      0.3772                 1.9011                 2.6195
  Dep-P Fr= 1--      0.0358                 0.4979                 0.6661
  Dep-U Fr= 1--      0.0692                 0.6648                 0.7996
 Alpha2 Fr= 1--      0.0077                 0.0095                 0.0039
 Beta2  Fr= 1--      0.0044                 0.2106                 0.3491
 AlphaG Fr= 1--     -0.0015                 0.0078                -0.0001
 Gamma2 Fr= 1--     -0.3412                 0.1393                 0.6464
 Delta2 Fr= 1--     -0.1573                -0.6152                 0.3090
 Raman1 Fr= 1--       1.509                  7.604                 10.478
 ROA1   Fr= 1--     -37.785                 -6.317                 71.939
 CID1   Fr= 1--     -25.044                 -0.831                  6.866
 Raman2 Fr= 1--       0.052                  2.528                  4.189
 ROA2   Fr= 1--      -6.930                  8.263                 13.041
 CID2   Fr= 1--    -132.748                  3.269                  3.113
 Raman3 Fr= 1--       0.104                  5.055                  8.378
 ROA3   Fr= 1--     -37.785                 -6.317                 71.939
 CID3   Fr= 1--    -361.920                 -1.250                  8.587
 RC180  Fr= 1--      -0.862                  0.330                  0.599
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.12  -0.02    -0.08   0.00   0.04     0.01  -0.02  -0.05
     2   6     0.03   0.13  -0.04    -0.01  -0.02   0.15     0.08  -0.09  -0.10
     3   6     0.07   0.04   0.01    -0.02   0.05  -0.14    -0.04   0.10   0.06
     4   6     0.01  -0.02  -0.01     0.03   0.07  -0.14    -0.02   0.09   0.04
     5   6    -0.03   0.02  -0.04     0.12   0.05  -0.08     0.01   0.08   0.08
     6   6    -0.02   0.10  -0.06     0.07  -0.01   0.10     0.07  -0.03  -0.02
     7   6     0.02  -0.04   0.04     0.03  -0.04   0.09     0.07  -0.08  -0.04
     8   6    -0.00  -0.10   0.05     0.02   0.08  -0.04     0.07   0.00  -0.06
     9   6     0.10  -0.11  -0.07    -0.02   0.10  -0.00    -0.09   0.00   0.15
    10   6    -0.11   0.00   0.11     0.09  -0.07  -0.12    -0.03   0.13  -0.01
    11   6    -0.01  -0.09   0.04    -0.04  -0.04  -0.00    -0.02  -0.04  -0.01
    12   6    -0.03  -0.08   0.05    -0.04  -0.08   0.07    -0.00  -0.07  -0.01
    13   8    -0.12  -0.01   0.14    -0.15  -0.01   0.16    -0.03  -0.04   0.04
    14   8     0.04  -0.01  -0.07    -0.01  -0.04  -0.01     0.07  -0.03  -0.09
    15   1     0.12   0.16  -0.01    -0.19  -0.05   0.05    -0.03  -0.05  -0.06
    16   1     0.13   0.01   0.04    -0.06   0.06  -0.23    -0.07   0.14   0.11
    17   1    -0.08  -0.02  -0.05     0.23   0.09  -0.10     0.03   0.14   0.14
    18   1    -0.07   0.13  -0.10     0.13  -0.03   0.16     0.09  -0.04  -0.01
    19   1     0.16  -0.08   0.09    -0.01  -0.06   0.26     0.02  -0.09   0.08
    20   1    -0.12  -0.09   0.02     0.12  -0.22  -0.00     0.04  -0.18  -0.09
    21   1     0.00  -0.10   0.04     0.03   0.09  -0.05     0.09  -0.02  -0.10
    22   1    -0.04  -0.19  -0.12    -0.07   0.12   0.01    -0.22   0.23   0.27
    23   1     0.21  -0.14  -0.27    -0.03   0.14  -0.01    -0.11   0.04   0.17
    24   1     0.24   0.00   0.04    -0.04   0.04   0.02    -0.14  -0.27   0.28
    25   1    -0.16   0.04   0.20     0.13  -0.12  -0.17    -0.04   0.13   0.01
    26   1    -0.12  -0.00   0.20     0.15  -0.06  -0.30    -0.12   0.13   0.15
    27   1    -0.16   0.08  -0.01     0.11  -0.23   0.00    -0.01   0.30  -0.09
    28   1    -0.06  -0.06   0.11    -0.19  -0.06   0.04    -0.08  -0.04   0.01
    29   6     0.00   0.04  -0.12     0.03  -0.01  -0.07    -0.09  -0.02  -0.03
    30   1     0.01   0.11  -0.06    -0.04   0.03  -0.02     0.09   0.08  -0.05
    31   1    -0.07  -0.05  -0.26    -0.03  -0.04  -0.10    -0.15  -0.05  -0.05
    32   1     0.04   0.16  -0.21     0.08   0.02  -0.18    -0.12   0.08   0.03
    33   1     0.07   0.14  -0.05     0.12   0.02   0.02    -0.13  -0.06  -0.07
                     16                     17                     18
                      A                      A                      A
 Frequencies --    390.1550               406.2980               422.1183
 Red. masses --      2.5679                 1.9758                 3.4831
 Frc consts  --      0.2303                 0.1922                 0.3657
 IR Inten    --      1.6590                 0.1776                 2.8790
 RamAct Fr= 1--      1.3001                 1.0470                 3.3720
  Dep-P Fr= 1--      0.5825                 0.1219                 0.1532
  Dep-U Fr= 1--      0.7361                 0.2173                 0.2657
 Alpha2 Fr= 1--      0.0041                 0.0174                 0.0517
 Beta2  Fr= 1--      0.1595                 0.0379                 0.1493
 AlphaG Fr= 1--      0.0013                 0.0197                -0.0617
 Gamma2 Fr= 1--      0.2784                 0.4491                -1.3498
 Delta2 Fr= 1--      0.1019                 0.1432                -0.0496
 Raman1 Fr= 1--       5.200                  4.188                 13.488
 ROA1   Fr= 1--      29.983                 47.698               -131.165
 CID1   Fr= 1--       5.766                 11.389                 -9.725
 Raman2 Fr= 1--       1.914                  0.455                  1.792
 ROA2   Fr= 1--       5.865                  9.634                -31.997
 CID2   Fr= 1--       3.064                 21.170                -17.855
 Raman3 Fr= 1--       3.828                  0.910                  3.584
 ROA3   Fr= 1--      29.983                 47.698               -131.165
 CID3   Fr= 1--       7.832                 52.407                -36.596
 RC180  Fr= 1--       0.472                 -0.565                 -0.469
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.03   0.06    -0.01  -0.07  -0.02    -0.01   0.10   0.09
     2   6    -0.03   0.04   0.07     0.03  -0.07   0.04     0.09   0.02  -0.00
     3   6     0.02  -0.04  -0.06    -0.04   0.07   0.01     0.04  -0.05  -0.09
     4   6     0.03  -0.05  -0.08    -0.03   0.05  -0.04    -0.08  -0.05  -0.02
     5   6     0.02  -0.04  -0.06     0.05   0.00  -0.03    -0.08   0.00   0.13
     6   6    -0.03   0.03   0.06     0.02  -0.05   0.08     0.03  -0.08  -0.09
     7   6     0.02  -0.01  -0.08     0.07   0.14  -0.05     0.13  -0.02   0.04
     8   6    -0.05  -0.08  -0.13     0.05  -0.04   0.04     0.14   0.00   0.03
     9   6     0.01  -0.13   0.10     0.02  -0.03  -0.04    -0.02   0.04   0.00
    10   6     0.03   0.15  -0.02    -0.05   0.00   0.07    -0.03  -0.02   0.02
    11   6     0.00   0.00  -0.01    -0.05   0.00  -0.04    -0.11  -0.01  -0.11
    12   6    -0.01   0.04   0.02    -0.03  -0.01  -0.01    -0.09   0.08  -0.05
    13   8    -0.01   0.03   0.01    -0.02   0.00   0.04     0.04   0.06   0.02
    14   8    -0.06   0.01   0.07    -0.01  -0.01   0.01    -0.08   0.03   0.13
    15   1    -0.04   0.05   0.10    -0.07  -0.14  -0.07    -0.08   0.16   0.20
    16   1     0.03  -0.06  -0.09    -0.09   0.11   0.03     0.15  -0.14  -0.14
    17   1     0.02  -0.05  -0.08     0.14   0.03  -0.06    -0.10   0.08   0.25
    18   1    -0.04   0.04   0.08     0.03  -0.04   0.14    -0.00  -0.10  -0.25
    19   1     0.09  -0.02  -0.16    -0.00   0.22  -0.51     0.14  -0.04   0.15
    20   1     0.11   0.03  -0.06     0.19   0.55   0.14     0.07  -0.11   0.01
    21   1    -0.05  -0.07  -0.12     0.06  -0.07   0.02     0.17  -0.03  -0.03
    22   1     0.03   0.13   0.24     0.02  -0.13  -0.09    -0.14   0.01  -0.01
    23   1     0.04  -0.34   0.15     0.01   0.03  -0.06    -0.05   0.22  -0.02
    24   1     0.07  -0.23   0.25     0.01   0.02  -0.10    -0.09  -0.08   0.00
    25   1     0.09   0.30  -0.16    -0.08  -0.05   0.14    -0.09  -0.12   0.15
    26   1     0.00   0.13   0.30    -0.14   0.01   0.12    -0.11   0.00  -0.04
    27   1     0.12   0.35  -0.05    -0.06   0.11  -0.02    -0.08   0.03  -0.09
    28   1     0.01   0.00  -0.02    -0.08  -0.01  -0.05    -0.03  -0.03  -0.19
    29   6     0.05  -0.01  -0.02    -0.01  -0.03  -0.03     0.02  -0.08  -0.11
    30   1    -0.07  -0.07   0.04     0.05  -0.02   0.05     0.15  -0.14   0.25
    31   1     0.08   0.01  -0.01     0.00  -0.01  -0.01     0.11  -0.05  -0.08
    32   1     0.08  -0.06  -0.07     0.00  -0.06  -0.06     0.06  -0.21  -0.18
    33   1     0.10   0.03   0.02     0.01  -0.03  -0.02     0.07  -0.02  -0.06
                     19                     20                     21
                      A                      A                      A
 Frequencies --    422.8734               502.4175               518.1681
 Red. masses --      2.9226                 3.3780                 3.0615
 Frc consts  --      0.3079                 0.5024                 0.4843
 IR Inten    --      1.0085                 1.6552                19.6331
 RamAct Fr= 1--      0.6440                 0.4974                 0.4269
  Dep-P Fr= 1--      0.1558                 0.3862                 0.1435
  Dep-U Fr= 1--      0.2696                 0.5572                 0.2509
 Alpha2 Fr= 1--      0.0098                 0.0039                 0.0067
 Beta2  Fr= 1--      0.0289                 0.0462                 0.0179
 AlphaG Fr= 1--      0.0374                -0.0056                -0.0051
 Gamma2 Fr= 1--      0.7032                 0.2156                -0.0797
 Delta2 Fr= 1--      0.1373                 0.0690                -0.0104
 Raman1 Fr= 1--       2.576                  1.990                  1.708
 ROA1   Fr= 1--      71.905                 22.907                 -7.986
 CID1   Fr= 1--      27.912                 11.513                 -4.677
 Raman2 Fr= 1--       0.347                  0.554                  0.214
 ROA2   Fr= 1--      15.779                  4.623                 -1.830
 CID2   Fr= 1--      45.446                  8.340                 -8.543
 Raman3 Fr= 1--       0.694                  1.109                  0.429
 ROA3   Fr= 1--      71.905                 22.907                 -7.986
 CID3   Fr= 1--     103.550                 20.661                -18.638
 RC180  Fr= 1--      -0.461                  0.114                 -0.498
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.04   0.15     0.02   0.01  -0.06    -0.09   0.05   0.05
     2   6    -0.04  -0.04   0.01     0.01   0.11   0.17    -0.01  -0.01  -0.04
     3   6     0.04  -0.07  -0.15     0.00  -0.02  -0.06    -0.05  -0.04  -0.06
     4   6     0.04   0.05  -0.00    -0.15   0.06   0.12     0.00  -0.08  -0.12
     5   6    -0.02   0.12   0.13    -0.02  -0.09  -0.03    -0.06  -0.05  -0.07
     6   6     0.07  -0.10  -0.13    -0.01  -0.05  -0.03    -0.11   0.04   0.06
     7   6    -0.05   0.06  -0.05     0.09   0.03   0.09     0.07  -0.05  -0.07
     8   6    -0.06  -0.02   0.00    -0.00  -0.02  -0.04     0.21  -0.01   0.02
     9   6     0.03  -0.03  -0.02     0.01  -0.04   0.00    -0.01   0.04   0.01
    10   6    -0.01   0.01   0.02     0.02   0.02  -0.03    -0.02  -0.01   0.03
    11   6     0.05   0.01   0.05    -0.14   0.08   0.02    -0.00   0.06   0.07
    12   6     0.04  -0.05   0.03    -0.09  -0.04  -0.05     0.05  -0.03   0.06
    13   8    -0.03  -0.04   0.00     0.04  -0.09  -0.03    -0.00  -0.05  -0.03
    14   8     0.04  -0.02  -0.07     0.08   0.02  -0.11     0.05   0.01  -0.06
    15   1    -0.16   0.12   0.30     0.05  -0.12  -0.24    -0.15   0.11   0.17
    16   1     0.05  -0.13  -0.34     0.14  -0.17  -0.21    -0.07  -0.00   0.02
    17   1    -0.07   0.22   0.29     0.08  -0.18  -0.22    -0.11  -0.03  -0.00
    18   1     0.19  -0.22  -0.26    -0.01  -0.12  -0.26    -0.19   0.12   0.16
    19   1    -0.08   0.10  -0.27     0.18   0.01   0.10     0.04  -0.04  -0.03
    20   1     0.01   0.26   0.05     0.16  -0.01   0.07     0.03  -0.05  -0.06
    21   1    -0.07  -0.00   0.03     0.03  -0.05  -0.09     0.20  -0.00   0.04
    22   1     0.08  -0.06  -0.03     0.02   0.01   0.03    -0.16   0.02  -0.00
    23   1     0.05  -0.10  -0.03     0.03  -0.10   0.00    -0.08   0.32   0.02
    24   1     0.07   0.06  -0.03     0.04  -0.04   0.04    -0.15  -0.17  -0.02
    25   1     0.00   0.06  -0.02     0.04   0.05  -0.08    -0.14  -0.13   0.27
    26   1     0.02   0.00   0.07     0.02   0.01   0.02    -0.15   0.01  -0.00
    27   1    -0.00   0.01   0.03     0.05   0.04  -0.01    -0.12   0.10  -0.17
    28   1    -0.01   0.02   0.09    -0.14   0.10   0.05    -0.05   0.09   0.15
    29   6    -0.01   0.04   0.06    -0.01   0.07   0.09     0.04   0.10   0.12
    30   1    -0.06   0.08  -0.13     0.37   0.25   0.15    -0.17   0.16  -0.19
    31   1    -0.07   0.03   0.06     0.04   0.13   0.20     0.07   0.14   0.19
    32   1    -0.03   0.10   0.10     0.01  -0.07   0.06     0.07   0.02   0.06
    33   1    -0.03  -0.01   0.04     0.02   0.03   0.12     0.09   0.09   0.16
                     22                     23                     24
                      A                      A                      A
 Frequencies --    597.9521               627.9958               641.7787
 Red. masses --      1.6463                 2.0248                 3.4887
 Frc consts  --      0.3468                 0.4705                 0.8466
 IR Inten    --     61.7871                39.5132                20.7044
 RamAct Fr= 1--      1.6583                 0.4252                 3.1545
  Dep-P Fr= 1--      0.3959                 0.6735                 0.6754
  Dep-U Fr= 1--      0.5673                 0.8049                 0.8062
 Alpha2 Fr= 1--      0.0125                 0.0006                 0.0042
 Beta2  Fr= 1--      0.1568                 0.0570                 0.4239
 AlphaG Fr= 1--      0.0056                 0.0054                -0.0233
 Gamma2 Fr= 1--     -1.0275                 0.0489                -0.2377
 Delta2 Fr= 1--     -0.0207                -0.1947                 0.1676
 Raman1 Fr= 1--       6.633                  1.701                 12.618
 ROA1   Fr= 1--     -99.299                 -1.540                -17.458
 CID1   Fr= 1--     -14.970                 -0.906                 -1.384
 Raman2 Fr= 1--       1.881                  0.684                  5.087
 ROA2   Fr= 1--     -24.494                  2.730                 -7.046
 CID2   Fr= 1--     -13.019                  3.989                 -1.385
 Raman3 Fr= 1--       3.763                  1.369                 10.173
 ROA3   Fr= 1--     -99.299                 -1.540                -17.458
 CID3   Fr= 1--     -26.389                 -1.125                 -1.716
 RC180  Fr= 1--       0.135                  0.610                  0.612
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02   0.02    -0.04  -0.03   0.04     0.08  -0.06   0.09
     2   6     0.04  -0.04  -0.08    -0.10   0.03   0.05    -0.00  -0.06   0.01
     3   6     0.03  -0.02   0.01    -0.00  -0.05  -0.01     0.12   0.10  -0.02
     4   6     0.05  -0.06  -0.07     0.03   0.06   0.11     0.02   0.05  -0.04
     5   6     0.04  -0.02   0.02     0.02   0.04  -0.05    -0.06   0.09  -0.10
     6   6     0.03   0.03   0.03    -0.02   0.06  -0.00    -0.08  -0.06   0.02
     7   6    -0.03  -0.00  -0.01    -0.04  -0.04  -0.09    -0.02  -0.02  -0.01
     8   6    -0.05   0.01   0.01     0.10  -0.01   0.00    -0.00   0.00   0.00
     9   6    -0.00   0.01  -0.00     0.01   0.02   0.01    -0.00   0.01   0.00
    10   6    -0.00  -0.00   0.00     0.00  -0.01   0.02     0.00  -0.00   0.01
    11   6    -0.03   0.06  -0.03     0.10  -0.03   0.01    -0.04  -0.13   0.14
    12   6    -0.08  -0.03  -0.05     0.01   0.01  -0.05    -0.03   0.03   0.11
    13   8    -0.02  -0.02   0.03    -0.03   0.05   0.02     0.06  -0.11  -0.13
    14   8    -0.02  -0.02  -0.05    -0.05  -0.04  -0.01    -0.06   0.17  -0.01
    15   1    -0.01   0.13   0.18     0.08  -0.11  -0.14     0.01  -0.07   0.12
    16   1    -0.01   0.06   0.17     0.02  -0.14  -0.26     0.05   0.13  -0.06
    17   1    -0.02   0.06   0.16     0.05  -0.11  -0.27    -0.02   0.14  -0.06
    18   1    -0.03   0.11   0.19     0.11  -0.07  -0.15    -0.03  -0.07   0.12
    19   1    -0.05   0.00  -0.01    -0.04  -0.05  -0.08    -0.04  -0.02   0.02
    20   1    -0.06  -0.00  -0.01    -0.02  -0.02  -0.08    -0.02  -0.05  -0.03
    21   1    -0.05   0.01   0.01     0.06   0.04   0.08    -0.01   0.01   0.02
    22   1     0.03  -0.00  -0.01    -0.08   0.02   0.01    -0.00   0.01   0.00
    23   1     0.01  -0.05  -0.01    -0.05   0.19   0.03    -0.00   0.01   0.00
    24   1     0.03   0.06   0.00    -0.09  -0.12  -0.02    -0.01   0.00  -0.00
    25   1     0.02   0.02  -0.04    -0.08  -0.07   0.17    -0.00  -0.01   0.01
    26   1     0.03  -0.01  -0.00    -0.08   0.01   0.02    -0.00  -0.00  -0.00
    27   1     0.02  -0.04   0.05    -0.07   0.06  -0.12    -0.00  -0.01   0.01
    28   1     0.01   0.10   0.02     0.13  -0.04  -0.02    -0.08  -0.17   0.07
    29   6     0.01   0.05   0.05    -0.00  -0.01  -0.01    -0.01  -0.05  -0.03
    30   1     0.68   0.01   0.48     0.49  -0.18   0.36     0.38   0.42   0.36
    31   1     0.05   0.12   0.18    -0.08  -0.06  -0.07    -0.02  -0.20  -0.30
    32   1     0.01  -0.06   0.05    -0.05   0.13   0.11     0.03   0.07  -0.15
    33   1     0.02  -0.04   0.05    -0.09  -0.05  -0.09     0.05   0.21   0.05
                     25                     26                     27
                      A                      A                      A
 Frequencies --    665.6959               703.4642               769.4432
 Red. masses --      5.2652                 3.1641                 3.6831
 Frc consts  --      1.3747                 0.9225                 1.2847
 IR Inten    --      5.9923                34.0466                 8.8997
 RamAct Fr= 1--      4.5285                 0.3191                19.6833
  Dep-P Fr= 1--      0.5519                 0.7155                 0.0096
  Dep-U Fr= 1--      0.7112                 0.8341                 0.0190
 Alpha2 Fr= 1--      0.0171                 0.0002                 0.4277
 Beta2  Fr= 1--      0.5368                 0.0444                 0.0625
 AlphaG Fr= 1--     -0.0128                -0.0023                 0.0885
 Gamma2 Fr= 1--     -0.0963                 0.7559                 0.4243
 Delta2 Fr= 1--     -0.5674                 0.1696                 0.0395
 Raman1 Fr= 1--      18.114                  1.276                 78.733
 ROA1   Fr= 1--     -27.397                 77.996                 41.995
 CID1   Fr= 1--      -1.512                 61.102                  0.533
 Raman2 Fr= 1--       6.442                  0.532                  0.750
 ROA2   Fr= 1--       2.229                 16.786                  9.867
 CID2   Fr= 1--       0.346                 31.530                 13.160
 Raman3 Fr= 1--      12.883                  1.065                  1.500
 ROA3   Fr= 1--     -27.397                 77.996                 41.995
 CID3   Fr= 1--      -2.127                 73.251                 28.004
 RC180  Fr= 1--       0.422                  0.668                 -0.962
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.19   0.12  -0.12    -0.07  -0.01  -0.12    -0.05   0.15   0.02
     2   6    -0.00   0.07  -0.04     0.01   0.02   0.04     0.14  -0.09  -0.14
     3   6    -0.20  -0.15  -0.01    -0.12   0.03   0.02     0.02   0.04  -0.13
     4   6     0.00  -0.06   0.05     0.01  -0.05  -0.09    -0.13   0.08   0.13
     5   6     0.21  -0.10   0.12    -0.09   0.01   0.03     0.01  -0.13  -0.03
     6   6     0.23   0.17   0.01    -0.04  -0.06  -0.08    -0.05  -0.04   0.13
     7   6    -0.02   0.01  -0.04     0.10   0.08   0.17     0.08  -0.04  -0.05
     8   6     0.01  -0.00   0.00     0.02  -0.01  -0.01    -0.11   0.01  -0.00
     9   6     0.00   0.01  -0.00    -0.00  -0.06  -0.01    -0.02   0.08   0.00
    10   6    -0.00  -0.00   0.01     0.01   0.03  -0.06    -0.03  -0.03   0.06
    11   6    -0.03  -0.09   0.09     0.12  -0.07   0.07     0.02  -0.06   0.06
    12   6    -0.03   0.01   0.11     0.16   0.02   0.06     0.12   0.03  -0.00
    13   8     0.04  -0.11  -0.08    -0.04   0.06  -0.04    -0.00   0.08  -0.03
    14   8    -0.03   0.14   0.01    -0.07  -0.03  -0.04    -0.01  -0.06  -0.03
    15   1    -0.10   0.16  -0.12    -0.16  -0.02  -0.09    -0.20   0.15   0.12
    16   1    -0.14  -0.19  -0.01    -0.20   0.13   0.14     0.17  -0.10  -0.26
    17   1     0.14  -0.15   0.10    -0.18   0.09   0.20     0.17  -0.18  -0.20
    18   1     0.20   0.19  -0.02    -0.12   0.00  -0.07    -0.19   0.07   0.19
    19   1    -0.03   0.03  -0.17     0.11   0.08   0.14     0.05  -0.03  -0.07
    20   1     0.01   0.13   0.02     0.12   0.08   0.17     0.06  -0.04  -0.05
    21   1    -0.01   0.02   0.02     0.09  -0.08  -0.13    -0.07  -0.03  -0.07
    22   1    -0.01   0.01  -0.00     0.02  -0.06  -0.01     0.08   0.09   0.01
    23   1    -0.00   0.04   0.00     0.02  -0.11  -0.02     0.04  -0.11  -0.02
    24   1    -0.01  -0.00  -0.01     0.03  -0.04   0.01     0.09   0.24   0.03
    25   1    -0.01  -0.00   0.02     0.03   0.04  -0.10     0.06   0.04  -0.10
    26   1    -0.01   0.00   0.01     0.03   0.02  -0.05     0.07  -0.05   0.08
    27   1    -0.01   0.01  -0.01     0.04   0.02  -0.02     0.05  -0.12   0.23
    28   1    -0.04  -0.12   0.04     0.07  -0.08   0.07    -0.03  -0.09   0.02
    29   6    -0.01  -0.07  -0.05     0.02   0.01   0.03     0.01  -0.00   0.03
    30   1     0.10   0.40   0.15     0.46  -0.19   0.32     0.12  -0.26   0.03
    31   1    -0.01  -0.18  -0.25    -0.04  -0.08  -0.11    -0.05  -0.11  -0.16
    32   1     0.02   0.01  -0.13    -0.00   0.19   0.08    -0.01   0.16   0.04
    33   1     0.03   0.12   0.01    -0.02   0.07  -0.00    -0.02   0.13   0.02
                     28                     29                     30
                      A                      A                      A
 Frequencies --    778.4215               818.6302               838.6260
 Red. masses --      3.1503                 3.0379                 2.6289
 Frc consts  --      1.1247                 1.1995                 1.0893
 IR Inten    --      9.3848                 9.9325                 0.4500
 RamAct Fr= 1--     12.3990                 4.8529                11.8295
  Dep-P Fr= 1--      0.0595                 0.1225                 0.0224
  Dep-U Fr= 1--      0.1123                 0.2182                 0.0438
 Alpha2 Fr= 1--      0.2394                 0.0804                 0.2494
 Beta2  Fr= 1--      0.2321                 0.1765                 0.0864
 AlphaG Fr= 1--      0.0388                -0.0099                 0.0586
 Gamma2 Fr= 1--      0.0471                 1.4862                 0.6562
 Delta2 Fr= 1--     -0.1293                 0.0902                 0.2793
 Raman1 Fr= 1--      49.596                 19.412                 47.318
 ROA1   Fr= 1--       0.384                145.566                 71.931
 CID1   Fr= 1--       0.008                  7.499                  1.520
 Raman2 Fr= 1--       2.785                  2.118                  1.037
 ROA2   Fr= 1--       2.165                 34.948                 13.514
 CID2   Fr= 1--       0.777                 16.499                 13.027
 Raman3 Fr= 1--       5.569                  4.236                  2.075
 ROA3   Fr= 1--       0.384                145.566                 71.931
 CID3   Fr= 1--       0.069                 34.360                 34.672
 RC180  Fr= 1--      -0.775                 -0.564                 -0.912
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.02   0.04     0.04   0.03   0.04    -0.03  -0.04   0.04
     2   6     0.01  -0.07  -0.12     0.01  -0.03  -0.06     0.03  -0.04  -0.08
     3   6     0.00  -0.08  -0.06     0.05   0.01   0.01    -0.05  -0.08   0.02
     4   6    -0.00   0.07   0.13    -0.05   0.02   0.03     0.03   0.02   0.04
     5   6     0.02   0.02  -0.11     0.03  -0.04   0.06    -0.06   0.06  -0.03
     6   6    -0.01   0.06  -0.00     0.00  -0.00   0.06    -0.06   0.05   0.00
     7   6    -0.02   0.09   0.17    -0.12   0.05   0.04     0.13   0.02   0.04
     8   6     0.08   0.01   0.03     0.06   0.02   0.05    -0.04   0.00  -0.01
     9   6    -0.00  -0.14  -0.01     0.00  -0.12   0.00    -0.02   0.04  -0.00
    10   6     0.02   0.07  -0.12     0.02   0.06  -0.10    -0.02  -0.02   0.04
    11   6     0.03  -0.03   0.04    -0.08   0.08  -0.07     0.12   0.10  -0.10
    12   6    -0.13   0.01  -0.10     0.21  -0.01   0.16    -0.00  -0.05   0.09
    13   8     0.04  -0.00   0.02    -0.06   0.01  -0.04    -0.04  -0.09   0.02
    14   8     0.04  -0.00   0.03    -0.05  -0.00  -0.04    -0.03   0.08   0.03
    15   1    -0.13   0.18   0.36     0.10   0.01  -0.02    -0.02  -0.02   0.06
    16   1    -0.10  -0.00  -0.02     0.19  -0.13  -0.11    -0.08  -0.10  -0.12
    17   1    -0.08   0.06   0.01     0.18  -0.17  -0.21    -0.03  -0.15  -0.32
    18   1    -0.10   0.23   0.37     0.05  -0.07  -0.08    -0.01  -0.02  -0.13
    19   1    -0.13   0.12   0.17    -0.22   0.06   0.10     0.14   0.01   0.08
    20   1    -0.12   0.12   0.19    -0.25   0.04   0.04     0.12  -0.03   0.02
    21   1     0.13  -0.04  -0.05     0.02   0.05   0.11     0.05  -0.11  -0.17
    22   1    -0.05  -0.20  -0.04    -0.07  -0.21  -0.05     0.07   0.07   0.01
    23   1    -0.01  -0.06  -0.02    -0.03   0.02  -0.01     0.03  -0.13  -0.02
    24   1    -0.04  -0.18  -0.03    -0.07  -0.18  -0.05     0.08   0.16   0.04
    25   1    -0.00   0.02  -0.06    -0.04  -0.02   0.03     0.05   0.04  -0.09
    26   1    -0.01   0.08  -0.19    -0.04   0.09  -0.20     0.05  -0.04   0.08
    27   1    -0.00   0.08  -0.17    -0.04   0.07  -0.19     0.05  -0.06   0.15
    28   1     0.10  -0.07  -0.06    -0.21   0.15   0.11     0.12   0.16   0.00
    29   6     0.01  -0.01   0.01    -0.03  -0.03  -0.07     0.03  -0.02  -0.09
    30   1    -0.12  -0.01  -0.09     0.13   0.00   0.09    -0.02   0.31   0.08
    31   1    -0.06  -0.08  -0.11     0.07   0.12   0.18    -0.05   0.12   0.21
    32   1    -0.03   0.14   0.08     0.01  -0.30  -0.15    -0.06  -0.07   0.14
    33   1    -0.06   0.03  -0.04     0.07  -0.15  -0.01    -0.09  -0.43  -0.24
                     31                     32                     33
                      A                      A                      A
 Frequencies --    852.3833               857.0206               872.5558
 Red. masses --      2.4864                 1.4125                 1.9313
 Frc consts  --      1.0644                 0.6112                 0.8664
 IR Inten    --      7.1040                 1.1679                21.3620
 RamAct Fr= 1--     10.7169                 2.1502                 2.3848
  Dep-P Fr= 1--      0.1708                 0.5036                 0.6173
  Dep-U Fr= 1--      0.2917                 0.6698                 0.7633
 Alpha2 Fr= 1--      0.1571                 0.0104                 0.0058
 Beta2  Fr= 1--      0.5211                 0.2400                 0.3034
 AlphaG Fr= 1--     -0.1120                 0.0019                -0.0102
 Gamma2 Fr= 1--      0.3829                -0.8481                 0.1774
 Delta2 Fr= 1--     -0.1164                -0.8678                 0.1827
 Raman1 Fr= 1--      42.868                  8.601                  9.539
 ROA1   Fr= 1--      33.035               -109.189                 22.873
 CID1   Fr= 1--       0.771                -12.695                  2.398
 Raman2 Fr= 1--       6.253                  2.880                  3.641
 ROA2   Fr= 1--      10.121                -13.412                  2.795
 CID2   Fr= 1--       1.619                 -4.656                  0.768
 Raman3 Fr= 1--      12.506                  5.761                  7.282
 ROA3   Fr= 1--      33.035               -109.189                 22.873
 CID3   Fr= 1--       2.642                -18.954                  3.141
 RC180  Fr= 1--      -0.417                  0.340                  0.527
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.10  -0.06    -0.02   0.07   0.03     0.03   0.00  -0.10
     2   6     0.04  -0.02  -0.02     0.01   0.00   0.01    -0.03   0.05   0.09
     3   6     0.02   0.11  -0.04    -0.01   0.07   0.04     0.05   0.01  -0.09
     4   6     0.01  -0.05  -0.08    -0.01   0.00   0.00    -0.05   0.05   0.08
     5   6    -0.02  -0.04   0.13     0.02  -0.07  -0.04     0.02  -0.08  -0.00
     6   6    -0.05  -0.07   0.10     0.00  -0.07  -0.04    -0.01  -0.08  -0.01
     7   6    -0.06   0.01  -0.01    -0.02  -0.01  -0.00    -0.06  -0.00  -0.05
     8   6     0.01   0.02   0.04     0.00   0.00   0.01     0.02  -0.01  -0.03
     9   6    -0.00  -0.06   0.01     0.00  -0.01   0.00     0.01   0.02  -0.01
    10   6     0.01   0.04  -0.04     0.00   0.01  -0.01     0.01  -0.02   0.02
    11   6     0.13  -0.03  -0.01     0.06   0.02  -0.03     0.07   0.04  -0.03
    12   6    -0.12  -0.01  -0.04    -0.02  -0.02   0.01     0.02  -0.02   0.04
    13   8     0.01  -0.05   0.03    -0.01  -0.03   0.01    -0.02  -0.03   0.01
    14   8     0.01   0.04   0.04    -0.01   0.03   0.01    -0.02   0.03   0.01
    15   1    -0.09   0.02  -0.12     0.12  -0.21  -0.41    -0.22   0.30   0.42
    16   1     0.08   0.08  -0.01     0.20  -0.21  -0.38    -0.11   0.29   0.42
    17   1     0.25  -0.28  -0.36    -0.14   0.20   0.42    -0.03   0.08   0.23
    18   1     0.07  -0.30  -0.41    -0.19   0.18   0.35    -0.14   0.06   0.18
    19   1    -0.14   0.02   0.01    -0.03  -0.00  -0.03     0.01  -0.02  -0.01
    20   1    -0.13   0.02   0.01    -0.03   0.02   0.01    -0.01  -0.06  -0.08
    21   1    -0.02   0.05   0.08    -0.01   0.02   0.03    -0.05   0.04   0.09
    22   1    -0.03  -0.12  -0.03    -0.01  -0.02  -0.00    -0.03   0.06   0.01
    23   1    -0.01   0.01  -0.01    -0.00   0.03  -0.00    -0.02   0.07   0.03
    24   1    -0.03  -0.06  -0.03    -0.02  -0.03  -0.01    -0.03  -0.07  -0.00
    25   1    -0.01  -0.02   0.00    -0.00   0.00   0.00    -0.04  -0.03   0.11
    26   1    -0.01   0.05  -0.12    -0.01   0.01  -0.02    -0.05  -0.01   0.06
    27   1    -0.02   0.01  -0.07    -0.00   0.01  -0.02    -0.03   0.05  -0.08
    28   1     0.23  -0.05  -0.09     0.09   0.02  -0.03     0.07   0.06   0.01
    29   6     0.05   0.04   0.04     0.02  -0.00  -0.02     0.02  -0.03  -0.06
    30   1    -0.06   0.13   0.01    -0.02   0.09   0.02     0.01   0.09   0.04
    31   1    -0.08  -0.03  -0.03    -0.04   0.01   0.04    -0.06   0.01   0.06
    32   1    -0.03   0.25   0.20    -0.03   0.05   0.10    -0.05   0.04   0.11
    33   1    -0.09  -0.05  -0.09    -0.05  -0.13  -0.09    -0.08  -0.24  -0.17
                     34                     35                     36
                      A                      A                      A
 Frequencies --    900.4688               942.5540               958.2125
 Red. masses --      1.5435                 1.2142                 1.5395
 Frc consts  --      0.7374                 0.6355                 0.8328
 IR Inten    --      0.2029                 0.3146                 0.0826
 RamAct Fr= 1--      0.5226                 0.3188                 4.8464
  Dep-P Fr= 1--      0.6054                 0.5746                 0.7495
  Dep-U Fr= 1--      0.7542                 0.7298                 0.8568
 Alpha2 Fr= 1--      0.0014                 0.0011                 0.0000
 Beta2  Fr= 1--      0.0657                 0.0388                 0.6921
 AlphaG Fr= 1--     -0.0031                -0.0033                 0.0021
 Gamma2 Fr= 1--     -0.2831                 0.2016                -0.6837
 Delta2 Fr= 1--     -0.3092                 0.1668                 0.7009
 Raman1 Fr= 1--       2.090                  1.275                 19.386
 ROA1   Fr= 1--     -37.072                 24.689                -43.207
 CID1   Fr= 1--     -17.736                 19.363                 -2.229
 Raman2 Fr= 1--       0.788                  0.465                  8.305
 ROA2   Fr= 1--      -4.321                  3.503                -22.016
 CID2   Fr= 1--      -5.482                  7.530                 -2.651
 Raman3 Fr= 1--       1.576                  0.931                 16.609
 ROA3   Fr= 1--     -37.072                 24.689                -43.207
 CID3   Fr= 1--     -23.516                 26.532                 -2.601
 RC180  Fr= 1--       0.508                  0.460                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03   0.02    -0.00  -0.01   0.01     0.00   0.00  -0.00
     2   6     0.00   0.01  -0.01     0.00   0.01  -0.00    -0.01  -0.00  -0.00
     3   6    -0.03  -0.01   0.00    -0.01  -0.00   0.00     0.00   0.02   0.01
     4   6     0.00   0.01  -0.01     0.00   0.01  -0.00     0.00  -0.01  -0.02
     5   6     0.03  -0.01   0.01     0.01  -0.00   0.00    -0.03   0.04   0.09
     6   6     0.01  -0.03   0.02     0.00  -0.01   0.01     0.04  -0.05  -0.08
     7   6     0.02   0.15  -0.08     0.01   0.06  -0.03    -0.06   0.04   0.05
     8   6     0.01   0.05  -0.02    -0.00  -0.02   0.01     0.02  -0.04  -0.07
     9   6    -0.05  -0.05  -0.02     0.03  -0.01   0.07     0.02   0.05  -0.04
    10   6     0.04  -0.02   0.05    -0.03  -0.06  -0.04     0.01  -0.06   0.02
    11   6    -0.00  -0.01   0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.01
    12   6    -0.01   0.00  -0.01    -0.00   0.00  -0.00    -0.00   0.00   0.00
    13   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   1    -0.01  -0.07  -0.03    -0.01  -0.02   0.00    -0.01   0.03   0.04
    16   1    -0.05  -0.02  -0.07    -0.03   0.00  -0.02     0.07  -0.07  -0.11
    17   1     0.05   0.04   0.05     0.03   0.01   0.02     0.22  -0.28  -0.49
    18   1     0.02  -0.03   0.04     0.01  -0.02   0.01    -0.19   0.28   0.50
    19   1     0.02   0.07   0.51     0.03   0.02   0.21    -0.06   0.04   0.05
    20   1    -0.06  -0.38  -0.34    -0.04  -0.16  -0.14    -0.06   0.02   0.04
    21   1    -0.02  -0.19   0.10     0.03   0.25  -0.14     0.03  -0.05  -0.08
    22   1     0.13  -0.00   0.01    -0.13  -0.42  -0.15     0.01   0.24   0.07
    23   1     0.03  -0.35  -0.04     0.04   0.36  -0.11    -0.02   0.01   0.06
    24   1     0.11   0.14   0.05    -0.06   0.14  -0.15    -0.01  -0.11   0.04
    25   1    -0.09  -0.15   0.30     0.04   0.29  -0.24    -0.02   0.05   0.05
    26   1    -0.13   0.02  -0.03     0.06  -0.12   0.44    -0.04  -0.08   0.25
    27   1    -0.08   0.05  -0.15     0.10   0.18  -0.03     0.01   0.11  -0.09
    28   1    -0.02  -0.03  -0.02    -0.01  -0.01  -0.01     0.00  -0.02  -0.02
    29   6     0.00  -0.00   0.01     0.00  -0.00   0.00    -0.00   0.01   0.02
    30   1    -0.00  -0.01  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    31   1    -0.01  -0.03  -0.04    -0.00  -0.01  -0.01     0.01   0.00  -0.01
    32   1     0.00   0.03   0.00     0.00   0.01   0.00     0.01   0.01  -0.01
    33   1    -0.00   0.04   0.01    -0.00   0.01   0.00     0.01   0.04   0.03
                     37                     38                     39
                      A                      A                      A
 Frequencies --    969.7335               973.7294               982.2434
 Red. masses --      1.6949                 1.5758                 1.4190
 Frc consts  --      0.9391                 0.8803                 0.8066
 IR Inten    --      0.2378                 0.0160                 0.1738
 RamAct Fr= 1--      3.9818                 2.8745                 0.8791
  Dep-P Fr= 1--      0.7436                 0.7259                 0.6228
  Dep-U Fr= 1--      0.8530                 0.8412                 0.7676
 Alpha2 Fr= 1--      0.0004                 0.0012                 0.0020
 Beta2  Fr= 1--      0.5661                 0.4030                 0.1125
 AlphaG Fr= 1--     -0.0095                -0.0039                 0.0019
 Gamma2 Fr= 1--      1.4131                -0.0678                -0.5198
 Delta2 Fr= 1--     -0.5968                -0.1518                 0.0308
 Raman1 Fr= 1--      15.927                 11.498                  3.516
 ROA1   Fr= 1--     116.559                -11.363                -48.919
 CID1   Fr= 1--       7.318                 -0.988                -13.912
 Raman2 Fr= 1--       6.793                  4.836                  1.350
 ROA2   Fr= 1--      38.689                 -0.412                -12.723
 CID2   Fr= 1--       5.696                 -0.085                 -9.427
 Raman3 Fr= 1--      13.585                  9.672                  2.699
 ROA3   Fr= 1--     116.559                -11.363                -48.919
 CID3   Fr= 1--       8.580                 -1.175                -18.125
 RC180  Fr= 1--       0.706                  0.682                  0.535
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02   0.03     0.00   0.01  -0.00     0.04  -0.06  -0.09
     2   6     0.00   0.02   0.04    -0.00  -0.01  -0.00    -0.00   0.02   0.03
     3   6     0.01  -0.04  -0.04     0.01   0.00  -0.00    -0.04   0.04   0.09
     4   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.01  -0.02
     5   6    -0.03   0.05   0.04    -0.00  -0.00  -0.01    -0.01   0.01  -0.00
     6   6     0.03  -0.04  -0.08    -0.00   0.01   0.00     0.01   0.00  -0.01
     7   6     0.07  -0.06  -0.08    -0.01  -0.04   0.03     0.03  -0.03  -0.04
     8   6    -0.04   0.05   0.09    -0.01  -0.10   0.05    -0.02   0.02   0.04
     9   6    -0.03  -0.06   0.06    -0.05   0.11   0.06    -0.01  -0.02   0.02
    10   6    -0.00   0.08  -0.03     0.07  -0.01  -0.11     0.00   0.03  -0.01
    11   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.01  -0.02
    12   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    13   8    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   1     0.07  -0.12  -0.18     0.00   0.01  -0.00    -0.21   0.32   0.54
    16   1    -0.13   0.15   0.26     0.01   0.00   0.01     0.21  -0.33  -0.51
    17   1     0.10  -0.16  -0.32    -0.02   0.01   0.02     0.01  -0.02  -0.05
    18   1    -0.17   0.24   0.42     0.01  -0.01  -0.04    -0.02   0.05   0.07
    19   1     0.12  -0.07  -0.08     0.01  -0.03  -0.11     0.08  -0.04  -0.05
    20   1     0.12  -0.05  -0.08    -0.01   0.08   0.09     0.07  -0.03  -0.04
    21   1    -0.07   0.07   0.16    -0.03  -0.33   0.17    -0.05   0.04   0.09
    22   1    -0.02  -0.34  -0.09     0.15  -0.08  -0.04    -0.02  -0.14  -0.04
    23   1     0.03   0.01  -0.08     0.09  -0.13  -0.10     0.01   0.02  -0.03
    24   1     0.01   0.18  -0.06     0.16   0.53   0.03     0.00   0.07  -0.03
    25   1     0.01  -0.07  -0.01    -0.10   0.04   0.16    -0.00  -0.04   0.01
    26   1     0.01   0.10  -0.31    -0.16   0.01   0.11     0.00   0.05  -0.14
    27   1    -0.03  -0.11   0.06    -0.06   0.30  -0.48    -0.02  -0.05   0.02
    28   1    -0.00   0.00   0.01     0.01   0.01   0.01    -0.01  -0.03  -0.07
    29   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.02   0.02
    30   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.01   0.00
    31   1     0.00   0.00   0.00     0.00   0.01   0.01    -0.01  -0.01  -0.02
    32   1    -0.00   0.00   0.00    -0.00  -0.01  -0.00     0.01   0.04   0.01
    33   1    -0.00  -0.01  -0.00     0.00  -0.01  -0.00    -0.00   0.05   0.02
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1014.6060              1046.9044              1083.7729
 Red. masses --      1.9204                 2.8566                 2.1263
 Frc consts  --      1.1648                 1.8447                 1.4715
 IR Inten    --      2.2265                 4.5330                54.6746
 RamAct Fr= 1--     11.1178                 0.0890                 2.8605
  Dep-P Fr= 1--      0.2615                 0.3504                 0.7499
  Dep-U Fr= 1--      0.4146                 0.5189                 0.8571
 Alpha2 Fr= 1--      0.1276                 0.0008                 0.0000
 Beta2  Fr= 1--      0.7682                 0.0077                 0.4086
 AlphaG Fr= 1--      0.0347                -0.0001                -0.0008
 Gamma2 Fr= 1--      0.4826                -0.0796                -3.5434
 Delta2 Fr= 1--     -0.7885                 0.1386                -1.2016
 Raman1 Fr= 1--      44.471                  0.356                 11.442
 ROA1   Fr= 1--      21.100                 -3.208               -378.617
 CID1   Fr= 1--       0.474                 -9.010                -33.090
 Raman2 Fr= 1--       9.218                  0.092                  4.903
 ROA2   Fr= 1--      17.891                 -3.019                -75.429
 CID2   Fr= 1--       1.941                -32.681                -15.383
 Raman3 Fr= 1--      18.436                  0.185                  9.807
 ROA3   Fr= 1--      21.100                 -3.208               -378.617
 CID3   Fr= 1--       1.145                -17.364                -38.608
 RC180  Fr= 1--      -0.171                  0.038                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.04  -0.06     0.00  -0.17   0.10     0.01  -0.02   0.01
     2   6    -0.00  -0.01   0.01    -0.03  -0.01  -0.01    -0.01   0.04  -0.02
     3   6    -0.01   0.05   0.00     0.05   0.18  -0.09    -0.02  -0.00   0.00
     4   6     0.07  -0.03   0.02    -0.04  -0.01  -0.01     0.05   0.03  -0.01
     5   6    -0.00   0.02   0.00     0.01  -0.17   0.10     0.02  -0.04   0.04
     6   6    -0.03  -0.04   0.01     0.05   0.18  -0.09    -0.05  -0.04   0.00
     7   6     0.01   0.01  -0.01     0.01  -0.00   0.00     0.01   0.02  -0.01
     8   6     0.00   0.01  -0.00     0.00   0.01   0.00    -0.00  -0.07   0.04
     9   6    -0.00  -0.01   0.00    -0.01  -0.00   0.00     0.02   0.03  -0.01
    10   6    -0.00  -0.00   0.01    -0.00   0.00   0.00    -0.02   0.03  -0.02
    11   6     0.03   0.03   0.18     0.01  -0.01   0.02     0.04   0.19   0.03
    12   6    -0.06   0.02  -0.05    -0.01   0.01  -0.00    -0.05   0.05   0.06
    13   8     0.03   0.03  -0.01     0.00   0.01  -0.00    -0.00   0.00   0.01
    14   8     0.02  -0.02  -0.01     0.00  -0.00  -0.00     0.02  -0.09  -0.03
    15   1    -0.14   0.05   0.01    -0.30  -0.34   0.09     0.06   0.00   0.02
    16   1     0.03  -0.03  -0.16    -0.19   0.30  -0.26    -0.16   0.06  -0.12
    17   1     0.00  -0.02  -0.06    -0.28  -0.34   0.07     0.10  -0.02   0.02
    18   1    -0.01  -0.04   0.04    -0.19   0.31  -0.24    -0.18   0.02  -0.06
    19   1    -0.03   0.01   0.02     0.02  -0.00   0.00     0.25  -0.05   0.02
    20   1     0.04  -0.02  -0.02     0.05  -0.01  -0.01    -0.27   0.00   0.01
    21   1     0.01   0.01  -0.01     0.02  -0.01  -0.02     0.01  -0.11   0.02
    22   1     0.00  -0.03  -0.01     0.01  -0.03  -0.01    -0.01   0.10   0.03
    23   1     0.00  -0.01  -0.01     0.01  -0.01  -0.01    -0.01   0.07   0.04
    24   1     0.00   0.02  -0.01     0.01   0.03  -0.00    -0.01  -0.05   0.02
    25   1     0.00  -0.00   0.00     0.00  -0.00  -0.01     0.03   0.01  -0.11
    26   1     0.00  -0.00   0.01     0.01   0.00  -0.01     0.05   0.03  -0.11
    27   1     0.00  -0.00   0.01     0.00  -0.01   0.02     0.01  -0.06   0.07
    28   1     0.21   0.27   0.54     0.06   0.04   0.10     0.16   0.06  -0.27
    29   6    -0.07  -0.05  -0.12     0.01   0.00  -0.02    -0.05  -0.13   0.02
    30   1     0.02  -0.07  -0.02     0.00  -0.01  -0.00     0.01   0.28   0.03
    31   1     0.12   0.15   0.21    -0.01   0.04   0.06     0.05  -0.31  -0.38
    32   1    -0.01  -0.50  -0.22    -0.01  -0.03   0.03     0.05   0.02  -0.25
    33   1     0.11  -0.22   0.02    -0.00  -0.08  -0.03     0.02   0.31   0.11
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1095.0043              1103.8368              1110.1409
 Red. masses --      1.5980                 2.0355                 1.4810
 Frc consts  --      1.1289                 1.4613                 1.0754
 IR Inten    --      7.0088                45.9944                 0.8120
 RamAct Fr= 1--      0.7243                 6.8622                 4.9683
  Dep-P Fr= 1--      0.4798                 0.1987                 0.1535
  Dep-U Fr= 1--      0.6484                 0.3315                 0.2661
 Alpha2 Fr= 1--      0.0039                 0.0935                 0.0761
 Beta2  Fr= 1--      0.0783                 0.3791                 0.2204
 AlphaG Fr= 1--     -0.0049                 0.0413                 0.0060
 Gamma2 Fr= 1--      0.6458                 1.6482                -0.3516
 Delta2 Fr= 1--      0.3861                 2.9760                -0.0319
 Raman1 Fr= 1--       2.897                 27.449                 19.873
 ROA1   Fr= 1--      74.349                253.455                -34.776
 CID1   Fr= 1--      25.661                  9.234                 -1.750
 Raman2 Fr= 1--       0.939                  4.550                  2.644
 ROA2   Fr= 1--      12.409                 15.748                 -8.184
 CID2   Fr= 1--      13.210                  3.461                 -3.095
 Raman3 Fr= 1--       1.879                  9.099                  5.289
 ROA3   Fr= 1--      74.349                253.455                -34.776
 CID3   Fr= 1--      39.573                 27.854                 -6.576
 RC180  Fr= 1--       0.297                 -0.337                 -0.468
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.04   0.03     0.02   0.01   0.00     0.01   0.01  -0.02
     2   6     0.02   0.04  -0.02     0.02  -0.03   0.01    -0.08   0.02   0.02
     3   6    -0.03  -0.03   0.01     0.00  -0.01   0.02     0.02   0.01   0.00
     4   6    -0.02   0.01  -0.05    -0.03  -0.02  -0.06    -0.00  -0.00  -0.01
     5   6     0.01  -0.00   0.01    -0.03   0.01  -0.00     0.02  -0.01   0.02
     6   6     0.00  -0.02   0.02     0.02   0.04  -0.01     0.00  -0.01  -0.01
     7   6     0.00   0.04  -0.02    -0.01  -0.04   0.03    -0.01  -0.02  -0.03
     8   6    -0.02  -0.09   0.05    -0.01   0.09  -0.05     0.14  -0.00   0.01
     9   6     0.04   0.04  -0.02    -0.02  -0.04   0.01    -0.08   0.01   0.02
    10   6    -0.02   0.04  -0.03     0.04  -0.04   0.03    -0.07   0.02   0.01
    11   6    -0.05  -0.03   0.08    -0.06   0.12   0.09    -0.02   0.00   0.01
    12   6    -0.00  -0.00  -0.03    -0.04   0.05   0.04    -0.00   0.00  -0.00
    13   8     0.02   0.02  -0.01     0.02   0.03  -0.02     0.00   0.01  -0.00
    14   8     0.00   0.02   0.00     0.02  -0.08  -0.03     0.00  -0.00  -0.00
    15   1     0.09  -0.02   0.02     0.07   0.04   0.00     0.06   0.08   0.04
    16   1    -0.09  -0.02  -0.07     0.12  -0.09   0.04     0.07  -0.01   0.03
    17   1     0.17   0.06  -0.01    -0.06  -0.04  -0.06     0.06   0.00   0.02
    18   1    -0.02  -0.01   0.00     0.03   0.03  -0.03     0.03  -0.01   0.08
    19   1     0.36  -0.06   0.06    -0.27   0.04  -0.08    -0.26   0.03   0.03
    20   1    -0.35  -0.02  -0.02     0.34   0.02   0.03    -0.21   0.06   0.03
    21   1    -0.05  -0.12   0.11    -0.04   0.17  -0.01     0.37  -0.23  -0.37
    22   1    -0.04   0.16   0.04     0.00  -0.12  -0.03     0.16  -0.06  -0.02
    23   1    -0.03   0.14   0.07     0.01  -0.07  -0.04     0.06  -0.28  -0.10
    24   1    -0.03  -0.12   0.01    -0.00   0.03  -0.02     0.14   0.31   0.08
    25   1     0.03   0.00  -0.11    -0.05  -0.01   0.16     0.09   0.05  -0.26
    26   1     0.04   0.04  -0.14    -0.07  -0.03   0.14     0.16  -0.02  -0.03
    27   1    -0.00  -0.05   0.05    -0.02   0.08  -0.12     0.09  -0.12   0.30
    28   1    -0.31   0.02   0.27    -0.21   0.06   0.05    -0.08  -0.00   0.03
    29   6     0.08   0.00  -0.04     0.10  -0.09  -0.04     0.02  -0.01  -0.01
    30   1     0.00  -0.14  -0.03     0.00   0.13  -0.00     0.00  -0.02  -0.01
    31   1    -0.17   0.02   0.09    -0.23  -0.24  -0.19    -0.05  -0.02  -0.01
    32   1    -0.06   0.16   0.28    -0.04   0.33   0.25    -0.01   0.07   0.07
    33   1    -0.12  -0.31  -0.25    -0.19  -0.18  -0.30    -0.04  -0.05  -0.06
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1146.1907              1161.8647              1202.8117
 Red. masses --      1.5531                 2.0650                 2.0119
 Frc consts  --      1.2022                 1.6424                 1.7150
 IR Inten    --     46.6366               157.5915                 0.7332
 RamAct Fr= 1--      1.5035                 0.9664                 7.4705
  Dep-P Fr= 1--      0.2650                 0.6845                 0.2793
  Dep-U Fr= 1--      0.4190                 0.8127                 0.4367
 Alpha2 Fr= 1--      0.0171                 0.0011                 0.0814
 Beta2  Fr= 1--      0.1050                 0.1309                 0.5437
 AlphaG Fr= 1--      0.0063                -0.0069                -0.0210
 Gamma2 Fr= 1--     -0.2477                -1.1250                -0.0940
 Delta2 Fr= 1--     -0.1659                -0.5834                 0.3596
 Raman1 Fr= 1--       6.014                  3.866                 29.882
 ROA1   Fr= 1--     -29.087               -126.667                  2.484
 CID1   Fr= 1--      -4.837                -32.768                  0.083
 Raman2 Fr= 1--       1.260                  1.571                  6.524
 ROA2   Fr= 1--      -4.617                -22.333                 -5.133
 CID2   Fr= 1--      -3.665                -14.217                 -0.787
 Raman3 Fr= 1--       2.520                  3.142                 13.049
 ROA3   Fr= 1--     -29.087               -126.667                  2.484
 CID3   Fr= 1--     -11.543                -40.319                  0.190
 RC180  Fr= 1--      -0.162                  0.625                 -0.127
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.00  -0.02    -0.05   0.01  -0.02     0.02  -0.01   0.01
     2   6    -0.00  -0.02   0.01    -0.00  -0.01   0.00     0.06   0.02   0.04
     3   6     0.05   0.02   0.01     0.05   0.01   0.02    -0.03  -0.02  -0.00
     4   6    -0.05  -0.04   0.01     0.05   0.00   0.00    -0.03  -0.00  -0.01
     5   6    -0.06   0.03  -0.04    -0.04  -0.01  -0.00    -0.02   0.02  -0.02
     6   6     0.08   0.02   0.02     0.03   0.00   0.01     0.02   0.01  -0.00
     7   6     0.00   0.04  -0.03     0.00   0.01  -0.01     0.02  -0.03  -0.06
     8   6    -0.00  -0.05   0.03    -0.00  -0.01   0.01     0.04   0.09   0.18
     9   6     0.02   0.02  -0.01     0.01   0.00  -0.00    -0.05  -0.02  -0.12
    10   6    -0.02   0.02  -0.01    -0.00   0.01  -0.00    -0.05  -0.08  -0.09
    11   6    -0.00  -0.01  -0.01    -0.00   0.13   0.02     0.02   0.01   0.01
    12   6    -0.03   0.05   0.07     0.06  -0.11  -0.12     0.00  -0.00  -0.00
    13   8     0.01   0.02  -0.01    -0.02  -0.04   0.03    -0.00  -0.00   0.00
    14   8     0.01  -0.07  -0.02    -0.01   0.13   0.02    -0.00   0.01   0.00
    15   1    -0.37  -0.17  -0.05    -0.29  -0.12  -0.04    -0.06  -0.04   0.02
    16   1     0.33  -0.11   0.21     0.24  -0.08   0.12    -0.04  -0.01  -0.01
    17   1    -0.33  -0.12  -0.06    -0.33  -0.20  -0.05    -0.02   0.02  -0.02
    18   1     0.44  -0.15   0.26     0.17  -0.07   0.11    -0.06   0.06  -0.03
    19   1     0.11  -0.00   0.09     0.03   0.00   0.03    -0.09  -0.01   0.00
    20   1    -0.14  -0.05  -0.06    -0.03  -0.02  -0.02    -0.08   0.03  -0.02
    21   1    -0.00  -0.10   0.05    -0.01  -0.03   0.02    -0.04   0.18   0.33
    22   1    -0.01   0.07   0.02    -0.01   0.02   0.00     0.11   0.34   0.09
    23   1    -0.01   0.06   0.03    -0.00   0.02   0.01    -0.09  -0.37   0.13
    24   1    -0.01  -0.04   0.00    -0.01  -0.01  -0.00     0.08  -0.19   0.17
    25   1     0.02   0.01  -0.08     0.00  -0.00  -0.01    -0.01   0.32  -0.24
    26   1     0.03   0.02  -0.06     0.00   0.01  -0.02     0.05  -0.12   0.34
    27   1     0.00  -0.03   0.05    -0.00  -0.01   0.01     0.12   0.23  -0.06
    28   1     0.20  -0.01  -0.10    -0.31   0.11   0.12     0.06   0.02   0.02
    29   6     0.01   0.01  -0.01    -0.01  -0.09   0.03    -0.01  -0.01   0.00
    30   1    -0.02   0.25   0.03     0.04  -0.47  -0.06     0.00  -0.02  -0.00
    31   1    -0.01   0.04   0.05    -0.02  -0.23  -0.25     0.02  -0.01  -0.01
    32   1    -0.01   0.00   0.04     0.03   0.13  -0.09     0.00  -0.01  -0.02
    33   1    -0.01  -0.05  -0.04    -0.04   0.19   0.03     0.01   0.02   0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1213.1278              1223.4806              1236.4778
 Red. masses --      1.3080                 2.0005                 2.4868
 Frc consts  --      1.1342                 1.7643                 2.2400
 IR Inten    --      4.4393                12.7242                 2.1598
 RamAct Fr= 1--     47.0332                31.4367                30.5948
  Dep-P Fr= 1--      0.1033                 0.1707                 0.1790
  Dep-U Fr= 1--      0.1873                 0.2916                 0.3036
 Alpha2 Fr= 1--      0.8168                 0.4609                 0.4391
 Beta2  Fr= 1--      1.4681                 1.5281                 1.5480
 AlphaG Fr= 1--      0.0514                -0.0089                 0.0699
 Gamma2 Fr= 1--      3.3023                 1.3894                -0.1923
 Delta2 Fr= 1--     -0.1173                -0.2139                -0.1824
 Raman1 Fr= 1--     188.133                125.747                122.379
 ROA1   Fr= 1--     313.269                126.540                -24.297
 CID1   Fr= 1--       1.665                  1.006                 -0.199
 Raman2 Fr= 1--      17.617                 18.337                 18.576
 ROA2   Fr= 1--      80.194                 35.057                 -3.156
 CID2   Fr= 1--       4.552                  1.912                 -0.170
 Raman3 Fr= 1--      35.235                 36.674                 37.151
 ROA3   Fr= 1--     313.269                126.540                -24.297
 CID3   Fr= 1--       8.891                  3.450                 -0.654
 RC180  Fr= 1--      -0.625                 -0.417                 -0.393
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.04   0.02    -0.09   0.01  -0.04     0.03  -0.00   0.01
     2   6     0.03  -0.00   0.01    -0.03   0.00  -0.02     0.27   0.04   0.10
     3   6     0.01  -0.03   0.02     0.08  -0.01   0.04    -0.06  -0.06   0.01
     4   6    -0.10  -0.02  -0.03     0.20   0.04   0.06     0.05   0.03   0.01
     5   6     0.02   0.04  -0.02     0.06  -0.01   0.03    -0.07   0.04  -0.05
     6   6    -0.00   0.05  -0.03    -0.08  -0.03  -0.01     0.04  -0.01   0.02
     7   6    -0.02   0.00  -0.00     0.03  -0.00   0.01    -0.11  -0.02  -0.03
     8   6     0.01  -0.01  -0.02    -0.01   0.02   0.02     0.04  -0.03  -0.09
     9   6     0.00   0.00   0.01    -0.00  -0.01  -0.01    -0.02   0.00   0.03
    10   6    -0.00   0.01   0.01     0.00  -0.01  -0.01     0.00   0.02   0.03
    11   6     0.04   0.02   0.02    -0.07  -0.03  -0.03     0.01  -0.01  -0.00
    12   6     0.00  -0.01  -0.01    -0.01   0.02   0.02    -0.01   0.01  -0.00
    13   8    -0.00  -0.01   0.01     0.01   0.02  -0.01     0.00   0.01  -0.00
    14   8     0.00   0.02   0.00    -0.00  -0.04  -0.00    -0.00  -0.01   0.00
    15   1    -0.32  -0.22   0.00    -0.49  -0.20  -0.07    -0.28  -0.18  -0.00
    16   1     0.36  -0.20   0.27     0.23  -0.07   0.14    -0.29   0.04  -0.14
    17   1     0.49   0.32   0.02     0.07  -0.01   0.03    -0.36  -0.13  -0.07
    18   1    -0.27   0.18  -0.21    -0.40   0.12  -0.22    -0.23   0.13  -0.17
    19   1    -0.04   0.01  -0.01     0.07  -0.01  -0.02    -0.28   0.03  -0.06
    20   1    -0.04  -0.01  -0.01     0.03  -0.00   0.01    -0.44   0.05   0.03
    21   1     0.01  -0.02  -0.02    -0.00   0.04   0.02    -0.00   0.07  -0.05
    22   1    -0.00  -0.03  -0.01     0.00   0.03   0.01     0.03  -0.09  -0.02
    23   1     0.01   0.03  -0.02    -0.01  -0.04   0.02     0.04   0.01  -0.08
    24   1     0.00   0.04  -0.01     0.01  -0.03   0.01     0.01   0.14  -0.03
    25   1     0.01  -0.03   0.00    -0.01   0.04  -0.00     0.01  -0.09   0.04
    26   1     0.01   0.01  -0.04    -0.01  -0.01   0.04     0.02   0.02  -0.05
    27   1    -0.01  -0.03   0.03     0.01   0.03  -0.03    -0.02  -0.08   0.07
    28   1     0.23   0.08   0.06    -0.44  -0.17  -0.12    -0.16  -0.06  -0.03
    29   6    -0.01  -0.02   0.00     0.02   0.04  -0.01    -0.01   0.01  -0.00
    30   1     0.01  -0.08  -0.01    -0.02   0.18   0.02    -0.01   0.09   0.02
    31   1     0.03  -0.03  -0.03    -0.05   0.06   0.06     0.01   0.03   0.02
    32   1     0.00   0.01  -0.03    -0.01  -0.01   0.05    -0.00  -0.05  -0.01
    33   1     0.01   0.05   0.03    -0.03  -0.08  -0.06     0.01  -0.03   0.01
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1244.5435              1280.4830              1309.4038
 Red. masses --      1.3872                 1.7449                 1.5706
 Frc consts  --      1.2659                 1.6856                 1.5865
 IR Inten    --      0.7248                 2.6298                 1.0400
 RamAct Fr= 1--      5.5889                 4.8800                 8.0444
  Dep-P Fr= 1--      0.7499                 0.5958                 0.1842
  Dep-U Fr= 1--      0.8571                 0.7467                 0.3111
 Alpha2 Fr= 1--      0.0000                 0.0140                 0.1139
 Beta2  Fr= 1--      0.7984                 0.6073                 0.4171
 AlphaG Fr= 1--      0.0007                 0.0076                 0.0350
 Gamma2 Fr= 1--     -0.8712                 2.0113                 0.9581
 Delta2 Fr= 1--     -0.3687                 1.1990                 1.9195
 Raman1 Fr= 1--      22.356                 19.520                 32.178
 ROA1   Fr= 1--     -95.435                231.450                153.400
 CID1   Fr= 1--      -4.269                 11.857                  4.767
 Raman2 Fr= 1--       9.580                  7.288                  5.006
 ROA2   Fr= 1--     -17.959                 38.679                  7.638
 CID2   Fr= 1--      -1.875                  5.307                  1.526
 Raman3 Fr= 1--      19.161                 14.576                 10.012
 ROA3   Fr= 1--     -95.435                231.450                153.400
 CID3   Fr= 1--      -4.981                 15.879                 15.322
 RC180  Fr= 1--       0.714                  0.493                 -0.378
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.04   0.01     0.01   0.03  -0.01     0.03   0.02  -0.00
     2   6    -0.02   0.07  -0.05     0.01  -0.02   0.02    -0.01  -0.01   0.03
     3   6     0.02  -0.01   0.01    -0.01   0.03  -0.02    -0.01   0.02  -0.02
     4   6    -0.02   0.03  -0.03     0.07  -0.09   0.07     0.01  -0.06   0.05
     5   6    -0.02  -0.03   0.01     0.03   0.04  -0.01     0.02   0.02  -0.01
     6   6     0.02  -0.03   0.02    -0.04   0.00  -0.02    -0.02   0.01  -0.02
     7   6     0.01  -0.04   0.03     0.00  -0.00  -0.00     0.06  -0.02  -0.03
     8   6     0.01   0.09  -0.04    -0.00   0.01  -0.01    -0.06   0.02   0.03
     9   6    -0.05  -0.03   0.00    -0.01  -0.00  -0.00     0.03  -0.01  -0.01
    10   6     0.05  -0.03   0.02     0.01  -0.00   0.00     0.03  -0.01  -0.00
    11   6     0.03  -0.01   0.01    -0.16   0.01  -0.01    -0.03  -0.02  -0.08
    12   6    -0.01  -0.00  -0.00     0.02   0.04   0.06     0.05  -0.07  -0.07
    13   8     0.00   0.00   0.00    -0.02  -0.05   0.01     0.00   0.05  -0.00
    14   8    -0.00  -0.00   0.00     0.02   0.03  -0.03    -0.03  -0.02   0.04
    15   1    -0.06  -0.06   0.01    -0.21  -0.09  -0.03    -0.11  -0.05  -0.00
    16   1     0.03  -0.01   0.02    -0.21   0.13  -0.17    -0.10   0.06  -0.07
    17   1     0.06   0.02   0.02     0.10   0.07  -0.02     0.09   0.07   0.01
    18   1     0.15  -0.10   0.11     0.04  -0.04   0.04     0.06  -0.02   0.05
    19   1     0.52  -0.14  -0.18     0.11  -0.03  -0.02    -0.17   0.03   0.07
    20   1    -0.43   0.17   0.16    -0.17   0.03   0.03    -0.29   0.08   0.06
    21   1     0.05   0.42  -0.23     0.01   0.10  -0.06     0.09  -0.08  -0.24
    22   1     0.05  -0.08  -0.02     0.01  -0.00  -0.00    -0.07   0.03   0.01
    23   1     0.02  -0.18  -0.07     0.00  -0.03  -0.01    -0.02   0.06   0.05
    24   1     0.02   0.09   0.01     0.01   0.02   0.00    -0.02  -0.05  -0.02
    25   1    -0.05  -0.02   0.18    -0.01  -0.01   0.03    -0.03  -0.00   0.10
    26   1    -0.07  -0.01   0.08    -0.01   0.00   0.01    -0.08   0.01   0.01
    27   1    -0.00   0.05  -0.10    -0.00   0.00  -0.02    -0.02   0.02  -0.08
    28   1    -0.01  -0.01   0.02     0.62   0.12  -0.16     0.03   0.28   0.46
    29   6    -0.01   0.00  -0.00     0.05  -0.00   0.01     0.02  -0.03   0.05
    30   1    -0.00   0.02   0.01     0.05  -0.46  -0.09    -0.08   0.53   0.10
    31   1     0.02   0.02   0.01    -0.14  -0.06  -0.03    -0.03  -0.11  -0.08
    32   1    -0.00  -0.03  -0.02     0.00   0.09   0.11     0.03   0.15   0.01
    33   1     0.02   0.00   0.02    -0.10  -0.03  -0.12    -0.05   0.13   0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1310.0898              1349.6116              1366.2049
 Red. masses --      1.5531                 2.2396                 1.4467
 Frc consts  --      1.5705                 2.4034                 1.5909
 IR Inten    --     12.3148                 0.1856                 0.1539
 RamAct Fr= 1--     21.4603                 1.8853                 1.0827
  Dep-P Fr= 1--      0.3587                 0.6456                 0.6901
  Dep-U Fr= 1--      0.5280                 0.7846                 0.8166
 Alpha2 Fr= 1--      0.1831                 0.0035                 0.0011
 Beta2  Fr= 1--      1.8885                 0.2465                 0.1474
 AlphaG Fr= 1--      0.0950                 0.0013                -0.0030
 Gamma2 Fr= 1--     -4.1750                -1.2240                 2.1139
 Delta2 Fr= 1--     -2.6244                -1.7382                 1.5343
 Raman1 Fr= 1--      85.841                  7.541                  4.331
 ROA1   Fr= 1--    -484.779               -173.124                252.026
 CID1   Fr= 1--      -5.647                -22.957                 58.192
 Raman2 Fr= 1--      22.662                  2.958                  1.768
 ROA2   Fr= 1--     -79.205                -15.469                 38.458
 CID2   Fr= 1--      -3.495                 -5.229                 21.748
 Raman3 Fr= 1--      45.325                  5.917                  3.537
 ROA3   Fr= 1--    -484.779               -173.124                252.026
 CID3   Fr= 1--     -10.696                -29.259                 71.259
 RC180  Fr= 1--       0.056                  0.569                  0.633
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02   0.00    -0.09  -0.05  -0.00    -0.08  -0.03  -0.01
     2   6     0.02  -0.03  -0.02     0.02   0.16  -0.09    -0.00  -0.02   0.01
     3   6    -0.01   0.01  -0.01     0.11  -0.05   0.07     0.02  -0.00   0.01
     4   6     0.01  -0.04   0.03     0.03   0.07  -0.03     0.03   0.10  -0.04
     5   6     0.01   0.01  -0.00    -0.12  -0.07  -0.01    -0.01   0.00  -0.01
     6   6    -0.02   0.01  -0.01     0.07  -0.04   0.05     0.06  -0.03   0.04
     7   6    -0.10   0.04   0.05    -0.00  -0.04   0.02     0.00   0.02  -0.01
     8   6     0.11  -0.04  -0.05     0.01   0.06  -0.03    -0.00  -0.04   0.02
     9   6    -0.06   0.01   0.01     0.03  -0.00   0.02    -0.01   0.01  -0.01
    10   6    -0.05   0.01   0.01    -0.03  -0.01  -0.01     0.01   0.01   0.00
    11   6    -0.02  -0.01  -0.04    -0.04  -0.03  -0.03    -0.05  -0.04  -0.05
    12   6     0.03  -0.03  -0.04     0.01   0.00   0.00    -0.00   0.01   0.02
    13   8     0.00   0.03  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    14   8    -0.02  -0.01   0.02    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    15   1    -0.05  -0.03  -0.03    -0.14  -0.08  -0.01     0.36   0.21   0.01
    16   1    -0.06   0.04  -0.05    -0.28   0.14  -0.20     0.22  -0.09   0.15
    17   1     0.04   0.03  -0.00     0.28   0.17   0.03    -0.29  -0.15  -0.02
    18   1     0.05  -0.04   0.01     0.11  -0.06   0.08    -0.35   0.17  -0.23
    19   1     0.45  -0.08  -0.13    -0.24   0.04  -0.05     0.01   0.01   0.03
    20   1     0.37  -0.14  -0.08     0.25   0.02   0.02    -0.01  -0.03  -0.03
    21   1    -0.16   0.26   0.38    -0.05  -0.46   0.25     0.03   0.23  -0.12
    22   1     0.13  -0.04  -0.02    -0.05  -0.08  -0.02     0.03   0.04   0.01
    23   1     0.03  -0.14  -0.09     0.03   0.06  -0.01    -0.02  -0.02   0.01
    24   1     0.04   0.12   0.05    -0.05  -0.05  -0.06     0.03   0.02   0.04
    25   1     0.05  -0.01  -0.15    -0.01   0.04  -0.04     0.01  -0.02   0.01
    26   1     0.13  -0.02  -0.03     0.04  -0.03   0.08    -0.02   0.02  -0.05
    27   1     0.02  -0.03   0.12     0.05   0.01   0.08    -0.03  -0.02  -0.04
    28   1     0.02   0.15   0.25     0.26   0.17   0.19     0.39   0.25   0.29
    29   6     0.01  -0.02   0.03     0.01  -0.00   0.02     0.02  -0.02   0.02
    30   1    -0.04   0.29   0.05    -0.01   0.02   0.00    -0.00  -0.03  -0.01
    31   1    -0.02  -0.06  -0.05    -0.05  -0.05  -0.04    -0.04  -0.05  -0.02
    32   1     0.01   0.08   0.01     0.01   0.02   0.01     0.01   0.08   0.02
    33   1    -0.03   0.07  -0.00    -0.03   0.03  -0.01    -0.05   0.08  -0.02
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1375.3121              1388.0537              1392.6155
 Red. masses --      1.3987                 1.3537                 1.9977
 Frc consts  --      1.5588                 1.5366                 2.2826
 IR Inten    --      0.5105                 9.5340                45.3389
 RamAct Fr= 1--      1.3988                10.6203                 4.0432
  Dep-P Fr= 1--      0.7276                 0.4079                 0.7461
  Dep-U Fr= 1--      0.8423                 0.5794                 0.8546
 Alpha2 Fr= 1--      0.0005                 0.0765                 0.0003
 Beta2  Fr= 1--      0.1964                 1.0256                 0.5759
 AlphaG Fr= 1--     -0.0043                 0.0223                -0.0075
 Gamma2 Fr= 1--     -0.3237                -0.2196                 1.5369
 Delta2 Fr= 1--     -0.2380                -0.2764                -1.2006
 Raman1 Fr= 1--       5.595                 42.481                 16.173
 ROA1   Fr= 1--     -38.686                -29.930                109.123
 CID1   Fr= 1--      -6.914                 -0.705                  6.747
 Raman2 Fr= 1--       2.356                 12.307                  6.910
 ROA2   Fr= 1--      -5.864                 -3.061                 46.490
 CID2   Fr= 1--      -2.489                 -0.249                  6.728
 Raman3 Fr= 1--       4.713                 24.615                 13.821
 ROA3   Fr= 1--     -38.686                -29.930                109.123
 CID3   Fr= 1--      -8.209                 -1.216                  7.896
 RC180  Fr= 1--       0.685                  0.159                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00  -0.00    -0.02  -0.01  -0.00     0.03   0.01   0.00
     2   6     0.01   0.05  -0.03    -0.04   0.00  -0.01    -0.00   0.00   0.00
     3   6     0.04  -0.02   0.03     0.01   0.01  -0.00    -0.01  -0.00  -0.00
     4   6    -0.00  -0.01   0.00     0.00   0.00  -0.00    -0.01  -0.01   0.02
     5   6    -0.05  -0.03  -0.00     0.01  -0.01   0.01     0.02   0.00   0.00
     6   6     0.01   0.00   0.00    -0.01   0.01  -0.01    -0.03   0.01  -0.02
     7   6     0.00   0.01  -0.01     0.12  -0.01   0.01     0.01  -0.00   0.00
     8   6    -0.02  -0.13   0.07     0.03  -0.05  -0.09     0.00  -0.00  -0.01
     9   6    -0.03  -0.00  -0.04    -0.03  -0.02   0.01    -0.00  -0.01  -0.00
    10   6     0.03   0.02   0.03    -0.02   0.02  -0.02    -0.00   0.00   0.00
    11   6     0.01   0.01   0.01    -0.01   0.00   0.01     0.09  -0.04  -0.14
    12   6     0.00  -0.00  -0.00     0.01  -0.01  -0.01    -0.12   0.13   0.13
    13   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.01  -0.03  -0.01
    14   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.03  -0.01  -0.05
    15   1    -0.13  -0.07  -0.01     0.05   0.03   0.01    -0.11  -0.07  -0.00
    16   1    -0.17   0.08  -0.12     0.05  -0.01   0.02    -0.02   0.00   0.00
    17   1     0.20   0.12   0.02     0.05   0.01   0.01     0.01   0.01   0.03
    18   1     0.12  -0.05   0.08     0.04  -0.02   0.04     0.08  -0.05   0.06
    19   1    -0.27   0.07   0.08    -0.35   0.09   0.22    -0.03   0.01   0.01
    20   1     0.28  -0.08  -0.07    -0.33   0.20   0.16    -0.01   0.02   0.01
    21   1     0.07   0.58  -0.32    -0.34   0.32   0.52    -0.02   0.02   0.04
    22   1     0.07   0.19   0.06     0.07   0.09   0.06     0.00   0.02   0.01
    23   1    -0.08   0.03   0.05     0.00   0.08  -0.08    -0.01   0.03  -0.00
    24   1     0.13   0.12   0.09     0.04   0.16  -0.03     0.01   0.03  -0.01
    25   1     0.08  -0.04  -0.05    -0.02  -0.11   0.02     0.00  -0.00  -0.01
    26   1    -0.04   0.06  -0.20     0.06  -0.02   0.12     0.01  -0.00  -0.00
    27   1    -0.11   0.01  -0.16     0.01  -0.11   0.12    -0.00   0.00  -0.00
    28   1    -0.07  -0.04  -0.05     0.01  -0.01  -0.03    -0.40   0.25   0.60
    29   6    -0.00   0.01  -0.00     0.00  -0.00  -0.00    -0.01  -0.01   0.06
    30   1     0.00   0.01   0.00    -0.00   0.02   0.00     0.06  -0.43  -0.09
    31   1     0.00   0.00  -0.01    -0.01   0.01   0.01     0.12  -0.10  -0.16
    32   1    -0.00  -0.03  -0.01    -0.00  -0.00   0.01     0.08   0.08  -0.16
    33   1     0.01  -0.03   0.00     0.00   0.00  -0.00    -0.07  -0.00   0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1405.0844              1415.9062              1424.7616
 Red. masses --      1.2792                 1.2215                 1.2489
 Frc consts  --      1.4880                 1.4428                 1.4937
 IR Inten    --      8.5611                11.1142                 7.6617
 RamAct Fr= 1--      0.6780                 0.9342                 4.4063
  Dep-P Fr= 1--      0.3228                 0.5577                 0.4415
  Dep-U Fr= 1--      0.4881                 0.7160                 0.6125
 Alpha2 Fr= 1--      0.0065                 0.0034                 0.0279
 Beta2  Fr= 1--      0.0552                 0.1115                 0.4498
 AlphaG Fr= 1--     -0.0023                 0.0073                -0.0023
 Gamma2 Fr= 1--     -0.0140                -0.1412                -0.2064
 Delta2 Fr= 1--     -0.1296                 0.0856                 0.0435
 Raman1 Fr= 1--       2.712                  3.737                 17.625
 ROA1   Fr= 1--      -5.493                -10.819                -18.425
 CID1   Fr= 1--      -2.025                 -2.895                 -1.045
 Raman2 Fr= 1--       0.662                  1.338                  5.398
 ROA2   Fr= 1--       0.700                 -4.074                 -5.303
 CID2   Fr= 1--       1.058                 -3.045                 -0.982
 Raman3 Fr= 1--       1.324                  2.676                 10.796
 ROA3   Fr= 1--      -5.493                -10.819                -18.425
 CID3   Fr= 1--      -4.150                 -4.044                 -1.707
 RC180  Fr= 1--      -0.024                  0.432                  0.225
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.01   0.00   0.00     0.00   0.00   0.00
     2   6    -0.00  -0.00   0.00     0.00   0.01  -0.01     0.01  -0.00  -0.00
     3   6    -0.01   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     4   6     0.00   0.01  -0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
     5   6     0.01   0.00   0.00     0.01   0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00    -0.01  -0.00  -0.00     0.00  -0.00   0.00
     7   6    -0.00  -0.01   0.00    -0.00  -0.00   0.00    -0.04   0.00  -0.00
     8   6     0.01   0.05  -0.03    -0.00  -0.00   0.00    -0.00   0.01   0.03
     9   6    -0.01  -0.10   0.00     0.00   0.00  -0.00    -0.01  -0.10  -0.02
    10   6    -0.01  -0.06   0.09     0.00   0.00  -0.00     0.01   0.04  -0.09
    11   6    -0.00  -0.00   0.00     0.01  -0.00  -0.01    -0.00   0.00   0.00
    12   6     0.00  -0.00  -0.00    -0.01   0.02   0.01     0.00  -0.00  -0.00
    13   8    -0.00   0.00   0.00    -0.00  -0.01   0.00    -0.00   0.00   0.00
    14   8    -0.00   0.00   0.00     0.01  -0.00  -0.01    -0.00   0.00   0.00
    15   1     0.02   0.01   0.00    -0.04  -0.02  -0.00    -0.01  -0.01  -0.00
    16   1     0.03  -0.02   0.02    -0.03   0.00  -0.03    -0.01   0.00  -0.01
    17   1    -0.04  -0.03  -0.00    -0.01  -0.01   0.00    -0.01  -0.00  -0.00
    18   1    -0.02   0.00  -0.01     0.02  -0.02   0.02    -0.01   0.00  -0.01
    19   1     0.06  -0.02  -0.03    -0.02   0.00  -0.00     0.13  -0.04  -0.01
    20   1    -0.07   0.03   0.03     0.02  -0.00  -0.00     0.13  -0.02  -0.03
    21   1    -0.02  -0.14   0.08     0.00   0.01  -0.00     0.08  -0.07  -0.11
    22   1     0.03   0.30   0.20    -0.00  -0.01  -0.01     0.03   0.32   0.20
    23   1    -0.07   0.40  -0.06     0.00  -0.01   0.00    -0.12   0.39   0.01
    24   1     0.15   0.35  -0.09    -0.00  -0.01   0.00     0.20   0.34  -0.02
    25   1     0.16   0.25  -0.30    -0.00  -0.01   0.00    -0.19  -0.17   0.31
    26   1     0.01   0.00  -0.38     0.00   0.00   0.01    -0.00  -0.01   0.37
    27   1    -0.08   0.29  -0.26    -0.00  -0.01   0.00     0.14  -0.23   0.28
    28   1     0.03   0.00  -0.00    -0.04   0.01   0.04     0.00  -0.00  -0.00
    29   6     0.00  -0.00  -0.00    -0.01  -0.10  -0.08    -0.00  -0.00  -0.00
    30   1    -0.00   0.01   0.00     0.01  -0.05  -0.01    -0.00   0.00   0.00
    31   1    -0.00   0.01   0.02     0.06   0.25   0.52     0.00   0.00   0.00
    32   1    -0.01   0.01   0.01    -0.16   0.42   0.29    -0.00   0.00   0.00
    33   1     0.00   0.02   0.00     0.19   0.52   0.19     0.00   0.00   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1460.7849              1489.2183              1489.5912
 Red. masses --      2.4743                 1.0410                 1.0974
 Frc consts  --      3.1109                 1.3602                 1.4347
 IR Inten    --      9.2358                 2.7282                 3.3831
 RamAct Fr= 1--      0.2523                 8.4588                14.3502
  Dep-P Fr= 1--      0.6771                 0.7440                 0.6948
  Dep-U Fr= 1--      0.8074                 0.8532                 0.8199
 Alpha2 Fr= 1--      0.0003                 0.0009                 0.0138
 Beta2  Fr= 1--      0.0340                 1.2028                 1.9610
 AlphaG Fr= 1--     -0.0154                 0.0067                 0.0052
 Gamma2 Fr= 1--      0.2149                -0.3044                 0.9784
 Delta2 Fr= 1--      0.5033                 0.0188                -0.1608
 Raman1 Fr= 1--       1.009                 33.835                 57.401
 ROA1   Fr= 1--      36.738                -28.619                 88.782
 CID1   Fr= 1--      36.400                 -0.846                  1.547
 Raman2 Fr= 1--       0.407                 14.434                 23.532
 ROA2   Fr= 1--       1.132                 -7.455                 24.768
 CID2   Fr= 1--       2.778                 -0.516                  1.053
 Raman3 Fr= 1--       0.815                 28.868                 47.064
 ROA3   Fr= 1--      36.738                -28.619                 88.782
 CID3   Fr= 1--      45.080                 -0.991                  1.886
 RC180  Fr= 1--       0.615                  0.706                  0.640
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.12  -0.02   0.06     0.00  -0.00   0.00     0.00   0.00   0.00
     2   6     0.02   0.13  -0.07    -0.00   0.00  -0.00     0.01  -0.00  -0.00
     3   6    -0.13  -0.04  -0.03    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.01   0.13  -0.07    -0.00  -0.00   0.00     0.00   0.00   0.00
     5   6     0.13  -0.01   0.06     0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.13  -0.04  -0.03    -0.00  -0.00   0.00     0.00  -0.00   0.00
     7   6    -0.00  -0.03   0.02     0.00   0.00   0.00    -0.05  -0.03  -0.06
     8   6    -0.00  -0.01   0.01     0.00   0.01  -0.00     0.01   0.00   0.01
     9   6     0.00   0.01  -0.01    -0.04   0.00  -0.00     0.01   0.00   0.01
    10   6     0.00   0.01  -0.00     0.04  -0.00   0.00     0.01   0.01   0.01
    11   6    -0.04  -0.04   0.02    -0.00   0.00   0.00    -0.00  -0.00   0.00
    12   6     0.01  -0.01  -0.01     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    13   8    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    14   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   1    -0.27  -0.26   0.04    -0.01  -0.00   0.00    -0.02  -0.01   0.00
    16   1     0.23  -0.23   0.23     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    17   1    -0.30  -0.28   0.03    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   1     0.21  -0.22   0.21     0.01  -0.01   0.00    -0.02   0.01  -0.01
    19   1    -0.21   0.03  -0.03    -0.01   0.01  -0.04     0.17  -0.16   0.59
    20   1     0.22  -0.01   0.01    -0.02  -0.03  -0.01     0.25   0.54   0.21
    21   1     0.00   0.02  -0.01    -0.01  -0.06   0.04     0.03  -0.02  -0.02
    22   1    -0.03  -0.03  -0.02     0.48  -0.11  -0.05    -0.07   0.07   0.04
    23   1    -0.03  -0.01   0.07     0.01   0.27  -0.17     0.08  -0.10  -0.08
    24   1     0.03   0.00   0.04     0.08  -0.23   0.30    -0.11   0.01  -0.15
    25   1     0.02  -0.07  -0.02     0.05   0.29  -0.12     0.09  -0.00  -0.14
    26   1     0.02  -0.00   0.04    -0.48   0.07   0.06    -0.14   0.02   0.09
    27   1    -0.04  -0.02  -0.03    -0.14  -0.35   0.03    -0.14  -0.16  -0.08
    28   1     0.34   0.08   0.06    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    29   6     0.01   0.01   0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    30   1    -0.01   0.04   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    31   1    -0.08  -0.03  -0.03     0.01   0.00  -0.00    -0.00   0.00   0.01
    32   1     0.01  -0.07   0.01    -0.00   0.00   0.00     0.00  -0.00  -0.01
    33   1    -0.03  -0.00  -0.02     0.00  -0.01   0.00    -0.01   0.01  -0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1492.2174              1497.4136              1498.9480
 Red. masses --      1.0466                 1.0567                 1.0549
 Frc consts  --      1.3731                 1.3960                 1.3964
 IR Inten    --      4.6715                 0.0938                 8.8653
 RamAct Fr= 1--      4.4589                 1.5828                 4.2081
  Dep-P Fr= 1--      0.5980                 0.4666                 0.6622
  Dep-U Fr= 1--      0.7484                 0.6363                 0.7967
 Alpha2 Fr= 1--      0.0126                 0.0091                 0.0066
 Beta2  Fr= 1--      0.5562                 0.1679                 0.5588
 AlphaG Fr= 1--      0.0028                 0.0311                 0.0601
 Gamma2 Fr= 1--     -0.8523                 0.5860                 1.1860
 Delta2 Fr= 1--     -1.2139                -0.1625                 1.5071
 Raman1 Fr= 1--      17.836                  6.331                 16.833
 ROA1   Fr= 1--    -120.664                 51.053                162.078
 CID1   Fr= 1--      -6.765                  8.064                  9.629
 Raman2 Fr= 1--       6.674                  2.014                  6.706
 ROA2   Fr= 1--     -10.744                 15.363                 16.406
 CID2   Fr= 1--      -1.610                  7.627                  2.447
 Raman3 Fr= 1--      13.349                  4.029                 13.411
 ROA3   Fr= 1--    -120.664                 51.053                162.078
 CID3   Fr= 1--      -9.040                 12.672                 12.085
 RC180  Fr= 1--       0.497                  0.273                  0.593
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.01  -0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.01  -0.00  -0.00    -0.00  -0.01   0.00     0.00   0.01  -0.01
     3   6     0.01  -0.00   0.01     0.01   0.00   0.00    -0.00  -0.00   0.00
     4   6     0.00   0.00  -0.00    -0.00  -0.01   0.00     0.01   0.00  -0.00
     5   6     0.01   0.01   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00     0.01  -0.00   0.00    -0.00  -0.00   0.00
     7   6     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     8   6     0.00  -0.00  -0.00     0.00   0.03  -0.02    -0.00  -0.00   0.00
     9   6     0.00  -0.00   0.00     0.01  -0.00  -0.04    -0.00   0.00   0.00
    10   6    -0.00   0.00   0.00    -0.00   0.03   0.02     0.00  -0.00  -0.00
    11   6    -0.02   0.01  -0.01    -0.00   0.00   0.00    -0.03  -0.01   0.02
    12   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.01  -0.01  -0.01
    13   8     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.01  -0.00
    14   8     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    15   1    -0.02  -0.01  -0.00     0.02   0.01  -0.00    -0.01  -0.01   0.00
    16   1    -0.01   0.00  -0.01    -0.00   0.01  -0.01    -0.00  -0.01  -0.01
    17   1    -0.03  -0.02  -0.00     0.01   0.01  -0.00    -0.01  -0.01  -0.00
    18   1    -0.02   0.00  -0.01    -0.02   0.01  -0.01    -0.00  -0.01   0.00
    19   1     0.00  -0.00   0.01     0.05  -0.01  -0.02    -0.01   0.00   0.00
    20   1     0.00   0.01   0.00    -0.05   0.01   0.01     0.01  -0.00  -0.00
    21   1    -0.00   0.00   0.00    -0.01  -0.07   0.04     0.00   0.01  -0.00
    22   1    -0.01   0.00   0.00    -0.13  -0.21  -0.13     0.01   0.02   0.01
    23   1     0.00  -0.01   0.00    -0.24   0.08   0.41     0.03  -0.01  -0.04
    24   1    -0.00   0.01  -0.01     0.28   0.09   0.28    -0.03  -0.01  -0.03
    25   1     0.00  -0.00  -0.00     0.21  -0.34  -0.27    -0.02   0.03   0.03
    26   1    -0.00   0.00   0.00     0.10  -0.03   0.26    -0.01   0.00  -0.03
    27   1    -0.00  -0.00  -0.00    -0.29  -0.14  -0.26     0.03   0.02   0.03
    28   1     0.04   0.05   0.03    -0.01  -0.01  -0.01     0.06  -0.04  -0.06
    29   6    -0.04   0.02  -0.03    -0.00  -0.00   0.00    -0.03  -0.03   0.03
    30   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.02   0.00
    31   1     0.36  -0.09  -0.36     0.06   0.02   0.01     0.59   0.17   0.12
    32   1    -0.20   0.16   0.41     0.01   0.05  -0.04     0.13   0.51  -0.39
    33   1     0.47  -0.38   0.35    -0.02  -0.03  -0.02    -0.21  -0.28  -0.18
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1508.6307              1512.3877              1551.9464
 Red. masses --      1.0508                 1.0555                 2.4288
 Frc consts  --      1.4091                 1.4224                 3.4467
 IR Inten    --     11.7303                10.5501                22.5853
 RamAct Fr= 1--      1.6903                 4.6350                 0.8450
  Dep-P Fr= 1--      0.4088                 0.5964                 0.7045
  Dep-U Fr= 1--      0.5804                 0.7472                 0.8267
 Alpha2 Fr= 1--      0.0121                 0.0132                 0.0007
 Beta2  Fr= 1--      0.1635                 0.5772                 0.1164
 AlphaG Fr= 1--     -0.0083                -0.0058                 0.0039
 Gamma2 Fr= 1--     -0.2823                -0.4771                -0.6593
 Delta2 Fr= 1--      0.1569                -0.2199                -0.2495
 Raman1 Fr= 1--       6.761                 18.540                  3.380
 ROA1   Fr= 1--     -22.075                -52.836                -71.276
 CID1   Fr= 1--      -3.265                 -2.850                -21.089
 Raman2 Fr= 1--       1.962                  6.926                  1.397
 ROA2   Fr= 1--      -8.029                 -9.690                -13.827
 CID2   Fr= 1--      -4.092                 -1.399                 -9.897
 Raman3 Fr= 1--       3.924                 13.853                  2.794
 ROA3   Fr= 1--     -22.075                -52.836                -71.276
 CID3   Fr= 1--      -5.625                 -3.814                -25.511
 RC180  Fr= 1--       0.161                  0.494                  0.653
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.10  -0.10   0.02
     2   6     0.01  -0.00  -0.00     0.00  -0.00  -0.00     0.15   0.01   0.05
     3   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.08   0.08  -0.08
     4   6     0.00   0.00   0.00     0.00   0.00   0.00     0.15   0.01   0.05
     5   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.10  -0.10   0.01
     6   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.08   0.08  -0.08
     7   6    -0.01  -0.01  -0.03    -0.01  -0.00  -0.00    -0.03  -0.00  -0.01
     8   6    -0.02  -0.00  -0.01     0.03  -0.02  -0.03    -0.00   0.00   0.01
     9   6    -0.02   0.01  -0.02     0.02   0.01  -0.02     0.00  -0.00   0.00
    10   6    -0.03  -0.02  -0.00     0.02  -0.03  -0.00     0.00   0.00  -0.00
    11   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.03  -0.00  -0.01
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.01   0.01
    13   8     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    14   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    15   1    -0.00   0.00   0.00     0.02   0.00  -0.01     0.42   0.18   0.06
    16   1     0.01  -0.00   0.01     0.01  -0.00   0.00     0.40  -0.14   0.25
    17   1     0.01   0.00   0.00     0.01   0.00   0.00     0.40   0.18   0.06
    18   1    -0.00   0.00   0.00     0.01  -0.01  -0.00     0.37  -0.13   0.21
    19   1     0.04  -0.06   0.26     0.01  -0.01   0.08    -0.03   0.00  -0.03
    20   1     0.08   0.24   0.10     0.02   0.07   0.03    -0.03  -0.02  -0.02
    21   1    -0.01  -0.03  -0.05    -0.03   0.04   0.06     0.02  -0.02  -0.04
    22   1     0.32  -0.21  -0.12    -0.36  -0.14  -0.10    -0.01   0.02   0.01
    23   1    -0.10   0.24   0.06    -0.20  -0.11   0.43     0.01  -0.01  -0.02
    24   1     0.18  -0.17   0.38     0.19   0.21   0.08    -0.02  -0.00  -0.02
    25   1    -0.13  -0.06   0.22    -0.13   0.45   0.13     0.01  -0.01  -0.01
    26   1     0.33  -0.05  -0.20    -0.34   0.06  -0.21    -0.01   0.00   0.02
    27   1     0.24   0.36   0.09     0.16  -0.07   0.24    -0.02  -0.01  -0.02
    28   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.04  -0.00  -0.00
    29   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    30   1     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.01  -0.00
    31   1     0.00  -0.00  -0.00     0.00   0.00   0.00     0.04  -0.00  -0.02
    32   1    -0.00   0.00   0.01     0.00   0.00  -0.00    -0.02   0.04   0.04
    33   1     0.01  -0.00   0.00    -0.00   0.00  -0.00     0.05  -0.03   0.03
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1617.4647              1658.2126              1805.7505
 Red. masses --      5.9912                 5.7772                 9.5433
 Frc consts  --      9.2349                 9.3594                18.3343
 IR Inten    --      0.1330                 1.1490               270.6210
 RamAct Fr= 1--      2.2747               117.2086                17.2656
  Dep-P Fr= 1--      0.6826                 0.4795                 0.1701
  Dep-U Fr= 1--      0.8114                 0.6482                 0.2908
 Alpha2 Fr= 1--      0.0027                 0.6350                 0.2535
 Beta2  Fr= 1--      0.3076                12.6620                 0.8369
 AlphaG Fr= 1--      0.0300                 0.0508                -0.4070
 Gamma2 Fr= 1--      0.3530                 2.3185                -1.1549
 Delta2 Fr= 1--      0.0582                 0.4510                 0.9156
 Raman1 Fr= 1--       9.099                468.835                 69.062
 ROA1   Fr= 1--      35.753                237.006                -81.575
 CID1   Fr= 1--       3.929                  0.506                 -1.181
 Raman2 Fr= 1--       3.691                151.944                 10.042
 ROA2   Fr= 1--       8.006                 52.036                -35.043
 CID2   Fr= 1--       2.169                  0.342                 -3.490
 Raman3 Fr= 1--       7.383                303.889                 20.084
 ROA3   Fr= 1--      35.753                237.006                -81.575
 CID3   Fr= 1--       4.843                  0.780                 -4.062
 RC180  Fr= 1--       0.623                  0.296                 -0.418
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11   0.18  -0.07     0.28   0.09   0.06    -0.01  -0.01   0.00
     2   6    -0.03  -0.30   0.16    -0.20  -0.01  -0.07     0.00   0.00  -0.00
     3   6     0.07  -0.17   0.13    -0.26   0.05  -0.13     0.01   0.00   0.00
     4   6     0.04   0.31  -0.16     0.18   0.02   0.06    -0.02  -0.01  -0.01
     5   6    -0.11  -0.19   0.07    -0.27  -0.09  -0.06     0.01   0.01   0.00
     6   6    -0.08   0.18  -0.13     0.26  -0.05   0.13    -0.01  -0.00  -0.00
     7   6     0.00   0.03  -0.02     0.03   0.00   0.01    -0.00  -0.00  -0.00
     8   6     0.00   0.01  -0.00     0.01  -0.00  -0.01    -0.00   0.00   0.00
     9   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    10   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    11   6    -0.02  -0.04   0.02    -0.02  -0.00  -0.01    -0.02  -0.04   0.04
    12   6     0.00   0.00  -0.01    -0.00   0.02   0.00     0.27   0.57  -0.32
    13   8    -0.00  -0.00   0.00    -0.00  -0.01   0.00    -0.15  -0.38   0.18
    14   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.02  -0.05   0.02
    15   1    -0.28  -0.03  -0.09    -0.29  -0.24   0.03     0.01   0.01   0.00
    16   1    -0.28  -0.02  -0.11     0.25  -0.21   0.23     0.03  -0.01  -0.01
    17   1     0.29   0.03   0.10     0.27   0.22  -0.02    -0.02  -0.01   0.00
    18   1     0.30   0.01   0.11    -0.24   0.20  -0.20     0.00  -0.01   0.01
    19   1     0.20  -0.03   0.04     0.02   0.01  -0.01    -0.00  -0.00   0.00
    20   1    -0.21  -0.01  -0.01     0.02  -0.01   0.00     0.00   0.00   0.00
    21   1    -0.00  -0.01   0.01    -0.01   0.02   0.03     0.00  -0.00  -0.00
    22   1     0.01  -0.01  -0.01    -0.00  -0.01  -0.00     0.00   0.00   0.00
    23   1    -0.01   0.01   0.01    -0.01   0.00   0.01    -0.00   0.00   0.00
    24   1     0.01  -0.00   0.01     0.01   0.01   0.01     0.00  -0.00   0.00
    25   1     0.01  -0.01  -0.01    -0.01   0.01   0.00    -0.00   0.00   0.00
    26   1    -0.01   0.00   0.01    -0.00   0.00  -0.01    -0.00   0.00   0.00
    27   1    -0.01  -0.01  -0.01     0.01  -0.00   0.01     0.00   0.00   0.00
    28   1     0.27   0.06   0.06    -0.02   0.00   0.01    -0.18   0.00   0.15
    29   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.01   0.00
    30   1    -0.00   0.02   0.00     0.00   0.01   0.00    -0.05   0.46   0.08
    31   1     0.01   0.01   0.02     0.02   0.00   0.00     0.04   0.00  -0.05
    32   1     0.01   0.01  -0.02    -0.01   0.02   0.02     0.03   0.01  -0.03
    33   1    -0.02  -0.00  -0.01     0.02   0.00   0.01    -0.02  -0.11  -0.04
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3002.8966              3025.8887              3027.4261
 Red. masses --      1.0816                 1.0345                 1.0482
 Frc consts  --      5.7464                 5.5808                 5.6602
 IR Inten    --     21.4644                34.6048                41.8840
 RamAct Fr= 1--    129.0551                13.8746                54.8454
  Dep-P Fr= 1--      0.4495                 0.6764                 0.5354
  Dep-U Fr= 1--      0.6202                 0.8070                 0.6974
 Alpha2 Fr= 1--      0.7926                 0.0180                 0.2271
 Beta2  Fr= 1--     13.3409                 1.8661                 6.3748
 AlphaG Fr= 1--     -0.0001                -0.0151                 0.0998
 Gamma2 Fr= 1--     -0.6963                 0.4000                -2.3649
 Delta2 Fr= 1--      0.9560                -1.0288                 0.9469
 Raman1 Fr= 1--     516.220                 55.498                219.381
 ROA1   Fr= 1--     -36.254                  5.484               -196.726
 CID1   Fr= 1--      -0.070                  0.099                 -0.897
 Raman2 Fr= 1--     160.090                 22.393                 76.498
 ROA2   Fr= 1--     -24.360                 17.831                -64.332
 CID2   Fr= 1--      -0.152                  0.796                 -0.841
 Raman3 Fr= 1--     320.181                 44.787                152.996
 ROA3   Fr= 1--     -36.254                  5.484               -196.726
 CID3   Fr= 1--      -0.113                  0.122                 -1.286
 RC180  Fr= 1--       0.240                  0.614                  0.395
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     3   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     7   6     0.00   0.01   0.02     0.00   0.00   0.00    -0.01  -0.02  -0.04
     8   6    -0.07  -0.01  -0.04     0.00   0.00   0.00    -0.01  -0.00  -0.01
     9   6     0.01  -0.00   0.00    -0.00  -0.03  -0.00    -0.00  -0.03   0.00
    10   6     0.01   0.00   0.00    -0.00  -0.02   0.03     0.00   0.01  -0.02
    11   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    12   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    13   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    15   1     0.00  -0.00   0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
    16   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    17   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    18   1     0.00   0.00  -0.00    -0.00  -0.01   0.00    -0.00  -0.00   0.00
    19   1    -0.05  -0.18  -0.02    -0.01  -0.04  -0.01     0.12   0.47   0.05
    20   1    -0.01   0.09  -0.16    -0.00   0.01  -0.02     0.04  -0.23   0.43
    21   1     0.84   0.13   0.43    -0.01  -0.00  -0.00     0.14   0.02   0.07
    22   1     0.00   0.02  -0.05     0.00   0.18  -0.36     0.00   0.17  -0.33
    23   1    -0.07  -0.01  -0.04     0.31   0.06   0.16     0.24   0.05   0.13
    24   1    -0.04   0.02   0.03    -0.27   0.14   0.20    -0.23   0.12   0.17
    25   1    -0.07  -0.01  -0.04    -0.35  -0.06  -0.19     0.17   0.03   0.10
    26   1    -0.00  -0.05  -0.01     0.08   0.47   0.06    -0.05  -0.29  -0.04
    27   1    -0.04   0.02   0.03     0.32  -0.17  -0.23    -0.18   0.10   0.13
    28   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    29   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    30   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    31   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    32   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    33   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3032.9051              3047.1764              3063.7496
 Red. masses --      1.0481                 1.0355                 1.1040
 Frc consts  --      5.6801                 5.6651                 6.1053
 IR Inten    --     18.5549                23.3992                17.9578
 RamAct Fr= 1--    529.4151               209.2444                50.8182
  Dep-P Fr= 1--      0.0108                 0.0613                 0.7500
  Dep-U Fr= 1--      0.0213                 0.1155                 0.8571
 Alpha2 Fr= 1--     11.4722                 4.0232                 0.0000
 Beta2  Fr= 1--      1.8807                 4.0283                 7.2596
 AlphaG Fr= 1--     -0.2717                -0.3328                 0.0049
 Gamma2 Fr= 1--     -0.5073                -0.3584                -0.8374
 Delta2 Fr= 1--      0.1455                 3.2914                -1.3404
 Raman1 Fr= 1--    2117.660                836.978                203.273
 ROA1   Fr= 1--     -44.043                 70.915               -123.278
 CID1   Fr= 1--      -0.021                  0.085                 -0.606
 Raman2 Fr= 1--      22.568                 48.340                 87.115
 ROA2   Fr= 1--     -13.338                -34.934                 -9.374
 CID2   Fr= 1--      -0.591                 -0.723                 -0.108
 Raman3 Fr= 1--      45.136                 96.680                174.230
 ROA3   Fr= 1--     -44.043                 70.915               -123.278
 CID3   Fr= 1--      -0.976                  0.734                 -0.708
 RC180  Fr= 1--      -0.957                 -0.769                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     5   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6    -0.01  -0.02  -0.04     0.00   0.00   0.00    -0.01  -0.08   0.04
     8   6    -0.01  -0.00  -0.01     0.00   0.00   0.00    -0.00  -0.00   0.00
     9   6     0.01   0.03   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.01
    10   6     0.00  -0.01   0.02    -0.00   0.00  -0.00     0.00   0.01   0.00
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    12   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    14   8    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    15   1    -0.01   0.01  -0.01     0.00  -0.00   0.00     0.01  -0.01   0.01
    16   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    17   1    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   1    -0.01  -0.01   0.00     0.00   0.00  -0.00    -0.01  -0.01   0.00
    19   1     0.11   0.45   0.05    -0.00  -0.00  -0.00     0.17   0.67   0.10
    20   1     0.03  -0.22   0.41    -0.00   0.00  -0.00    -0.05   0.31  -0.63
    21   1     0.16   0.02   0.08    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    22   1    -0.00  -0.14   0.28     0.00   0.00  -0.00    -0.00  -0.02   0.04
    23   1    -0.27  -0.05  -0.14     0.00   0.00   0.00     0.03   0.01   0.01
    24   1     0.21  -0.11  -0.15    -0.00   0.00   0.00    -0.03   0.02   0.02
    25   1    -0.26  -0.04  -0.14     0.00   0.00   0.00    -0.03  -0.00  -0.02
    26   1     0.05   0.29   0.03    -0.00  -0.00  -0.00    -0.01  -0.05  -0.01
    27   1     0.20  -0.10  -0.14    -0.00  -0.00  -0.00     0.03  -0.01  -0.02
    28   1     0.00  -0.00   0.00    -0.01   0.03  -0.02    -0.00  -0.00   0.00
    29   6    -0.00  -0.00  -0.00    -0.01  -0.03  -0.04    -0.00   0.00  -0.00
    30   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    31   1    -0.00   0.00  -0.00    -0.09   0.39  -0.22     0.00  -0.00  -0.00
    32   1     0.01   0.00   0.00     0.63   0.01   0.24     0.00   0.00   0.00
    33   1    -0.00  -0.00   0.00    -0.38  -0.07   0.43    -0.00  -0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3070.7138              3085.7857              3088.3421
 Red. masses --      1.0840                 1.1020                 1.1008
 Frc consts  --      6.0223                 6.1825                 6.1862
 IR Inten    --      6.9601                15.1808                50.7954
 RamAct Fr= 1--     65.2269                36.5320               129.0959
  Dep-P Fr= 1--      0.1906                 0.7485                 0.6912
  Dep-U Fr= 1--      0.3201                 0.8562                 0.8174
 Alpha2 Fr= 1--      0.9082                 0.0009                 0.1330
 Beta2  Fr= 1--      3.4800                 5.2130                17.5870
 AlphaG Fr= 1--     -0.3939                -0.0642                 0.1090
 Gamma2 Fr= 1--     -3.2142                 0.3272                 3.9329
 Delta2 Fr= 1--     -1.6943                -0.9668                 4.4439
 Raman1 Fr= 1--     260.908                146.128                516.384
 ROA1   Fr= 1--    -362.782                  0.476                519.764
 CID1   Fr= 1--      -1.390                  0.003                  1.007
 Raman2 Fr= 1--      41.759                 62.556                211.044
 ROA2   Fr= 1--     -63.587                 15.588                 58.839
 CID2   Fr= 1--      -1.523                  0.249                  0.279
 Raman3 Fr= 1--      83.519                125.112                422.088
 ROA3   Fr= 1--    -362.782                  0.476                519.764
 CID3   Fr= 1--      -4.344                  0.004                  1.231
 RC180  Fr= 1--      -0.360                  0.712                  0.635
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     3   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     5   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     7   6    -0.00  -0.00  -0.00    -0.00  -0.01   0.00    -0.00  -0.00  -0.00
     8   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     9   6     0.00  -0.00  -0.00    -0.03  -0.00   0.05     0.02   0.00  -0.06
    10   6     0.00   0.00   0.00     0.02  -0.06  -0.03     0.01  -0.05  -0.03
    11   6     0.02  -0.07   0.04     0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   8     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    14   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    15   1    -0.00   0.00  -0.00     0.01  -0.01   0.01    -0.00   0.01  -0.01
    16   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    17   1     0.01  -0.02   0.02    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    18   1     0.00   0.00  -0.00    -0.01  -0.01   0.00    -0.00  -0.01   0.00
    19   1     0.00   0.00   0.00     0.01   0.06   0.01     0.00   0.01   0.00
    20   1     0.00  -0.00   0.00    -0.00   0.03  -0.06     0.00  -0.01   0.02
    21   1     0.00   0.00   0.00     0.00   0.00   0.00     0.02   0.00   0.01
    22   1     0.00  -0.00   0.00    -0.00   0.21  -0.40     0.00  -0.25   0.47
    23   1    -0.00  -0.00  -0.00    -0.03  -0.01  -0.00     0.10   0.02   0.03
    24   1    -0.00   0.00   0.00     0.35  -0.18  -0.25    -0.39   0.21   0.28
    25   1    -0.00  -0.00  -0.00     0.06  -0.01   0.02     0.13   0.01   0.07
    26   1     0.00  -0.00   0.00     0.09   0.51   0.05     0.08   0.47   0.05
    27   1     0.00  -0.00  -0.00    -0.40   0.20   0.29    -0.32   0.15   0.23
    28   1    -0.21   0.84  -0.46    -0.00   0.00  -0.00     0.00  -0.00   0.00
    29   6    -0.00   0.01  -0.01    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    30   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    31   1     0.03  -0.14   0.08     0.00  -0.00   0.00    -0.00   0.00  -0.00
    32   1     0.04   0.00   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    33   1    -0.01  -0.00   0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3091.4875              3096.7217              3110.8035
 Red. masses --      1.1017                 1.1008                 1.1023
 Frc consts  --      6.2036                 6.2195                 6.2850
 IR Inten    --      7.4386                77.7085                27.5036
 RamAct Fr= 1--     11.6150                56.2227                96.0810
  Dep-P Fr= 1--      0.7477                 0.5001                 0.6775
  Dep-U Fr= 1--      0.8556                 0.6668                 0.8078
 Alpha2 Fr= 1--      0.0005                 0.2775                 0.1230
 Beta2  Fr= 1--      1.6564                 6.2481                12.9351
 AlphaG Fr= 1--      0.0244                 0.0149                 0.0746
 Gamma2 Fr= 1--     -2.9484                 1.0665                -1.9924
 Delta2 Fr= 1--     -0.2904                -1.7788                -3.8179
 Raman1 Fr= 1--      46.460                224.891                384.324
 ROA1   Fr= 1--    -292.333                 45.462               -313.443
 CID1   Fr= 1--      -6.292                  0.202                 -0.816
 Raman2 Fr= 1--      19.876                 74.977                155.221
 ROA2   Fr= 1--     -68.437                 39.826                -17.274
 CID2   Fr= 1--      -3.443                  0.531                 -0.111
 Raman3 Fr= 1--      39.753                149.955                310.442
 ROA3   Fr= 1--    -292.333                 45.462               -313.443
 CID3   Fr= 1--      -7.354                  0.303                 -1.010
 RC180  Fr= 1--       0.711                  0.334                  0.616
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     4   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     8   6    -0.00  -0.00  -0.00    -0.01  -0.00  -0.01     0.00   0.00   0.00
     9   6     0.06  -0.01   0.03    -0.06   0.01  -0.02     0.00  -0.00   0.00
    10   6    -0.06  -0.01  -0.01    -0.06  -0.01  -0.01     0.00   0.00   0.00
    11   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    14   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    15   1    -0.00   0.01  -0.00     0.00  -0.01   0.00     0.00  -0.00   0.00
    16   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    17   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   1     0.00   0.01  -0.00     0.00   0.01  -0.00    -0.00  -0.00   0.00
    19   1     0.01   0.03   0.00     0.00   0.02   0.00    -0.00  -0.00  -0.00
    20   1    -0.00   0.01  -0.03     0.00  -0.01   0.02    -0.00   0.00  -0.00
    21   1     0.01  -0.00   0.00     0.15   0.02   0.07    -0.00  -0.00  -0.00
    22   1     0.02   0.12  -0.23    -0.01  -0.09   0.17     0.00   0.00  -0.00
    23   1    -0.50  -0.11  -0.26     0.52   0.12   0.28    -0.00  -0.00  -0.00
    24   1    -0.18   0.10   0.15     0.26  -0.14  -0.21    -0.00   0.00   0.00
    25   1     0.52   0.08   0.30     0.47   0.07   0.27    -0.00  -0.00  -0.00
    26   1     0.02   0.23   0.02     0.02   0.17   0.02    -0.00  -0.00  -0.00
    27   1     0.23  -0.13  -0.19     0.24  -0.14  -0.20    -0.00   0.00   0.00
    28   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.01  -0.04   0.02
    29   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.09   0.01   0.01
    30   1     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    31   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.17   0.09
    32   1     0.00  -0.00   0.00     0.00   0.00   0.00     0.65   0.02   0.26
    33   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.43   0.08  -0.52
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3129.7281              3161.7791              3167.2220
 Red. masses --      1.1014                 1.0867                 1.0872
 Frc consts  --      6.3561                 6.4009                 6.4254
 IR Inten    --     12.5854                11.0243                 8.4974
 RamAct Fr= 1--     25.3857                46.9735                51.0669
  Dep-P Fr= 1--      0.6803                 0.7277                 0.6368
  Dep-U Fr= 1--      0.8097                 0.8424                 0.7781
 Alpha2 Fr= 1--      0.0312                 0.0180                 0.1047
 Beta2  Fr= 1--      3.4259                 6.5951                 6.6223
 AlphaG Fr= 1--     -0.0115                 0.0002                 0.1990
 Gamma2 Fr= 1--      0.7268                -4.7881                 3.9283
 Delta2 Fr= 1--      1.9663                 1.3589                 1.2830
 Raman1 Fr= 1--     101.543                187.894                204.268
 ROA1   Fr= 1--     132.691               -416.173                418.173
 CID1   Fr= 1--       1.307                 -2.215                  2.047
 Raman2 Fr= 1--      41.111                 79.141                 79.468
 ROA2   Fr= 1--       1.712               -125.786                 84.016
 CID2   Fr= 1--       0.042                 -1.589                  1.057
 Raman3 Fr= 1--      82.221                158.282                158.936
 ROA3   Fr= 1--     132.691               -416.173                418.173
 CID3   Fr= 1--       1.614                 -2.629                  2.631
 RC180  Fr= 1--       0.619                  0.685                  0.556
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.03  -0.05   0.04
     2   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     3   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.02   0.03  -0.01
     4   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     5   6    -0.00   0.00  -0.00     0.02  -0.05   0.04    -0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.03   0.04  -0.01    -0.00  -0.01   0.00
     7   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     8   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     9   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    10   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    11   6     0.00  -0.01   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   8     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    14   8     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    15   1    -0.00   0.01  -0.01    -0.02   0.04  -0.03    -0.31   0.61  -0.49
    16   1    -0.02  -0.03   0.01    -0.02  -0.03   0.01    -0.28  -0.41   0.13
    17   1     0.01  -0.01   0.01    -0.29   0.56  -0.43     0.01  -0.01   0.01
    18   1     0.00   0.00  -0.00    -0.35  -0.51   0.15     0.04   0.06  -0.02
    19   1     0.00   0.00   0.00    -0.00  -0.01  -0.00     0.00   0.00  -0.00
    20   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.01  -0.02
    21   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    22   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.01  -0.01
    23   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.01   0.00   0.01
    24   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.00  -0.00
    25   1     0.00   0.00   0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
    26   1     0.00   0.00   0.00    -0.00  -0.01  -0.00     0.00   0.00   0.00
    27   1     0.00  -0.00  -0.00     0.01  -0.00  -0.00    -0.00   0.00   0.00
    28   1    -0.03   0.14  -0.07    -0.01   0.02  -0.01     0.00  -0.00   0.00
    29   6     0.00  -0.06   0.07     0.00  -0.00   0.00    -0.00   0.00  -0.00
    30   1    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    31   1    -0.16   0.74  -0.39    -0.00   0.01  -0.00     0.00  -0.02   0.01
    32   1    -0.18  -0.02  -0.06    -0.00  -0.00  -0.00     0.01   0.00   0.00
    33   1     0.30   0.04  -0.33     0.00  -0.00  -0.00    -0.01  -0.00   0.01
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3178.7930              3185.4181              3723.5538
 Red. masses --      1.0936                 1.0937                 1.0639
 Frc consts  --      6.5107                 6.5387                 8.6912
 IR Inten    --     18.0639                 3.2051                65.9155
 RamAct Fr= 1--     93.4759               135.1379               134.9035
  Dep-P Fr= 1--      0.1390                 0.1220                 0.2474
  Dep-U Fr= 1--      0.2441                 0.2174                 0.3967
 Alpha2 Fr= 1--      1.4856                 2.2413                 1.6104
 Beta2  Fr= 1--      3.8037                 4.8972                 8.9196
 AlphaG Fr= 1--     -1.0900                 0.3051                -0.2647
 Gamma2 Fr= 1--     -7.3823                 5.6578                -4.8600
 Delta2 Fr= 1--     -2.3731                 0.8356                 0.2447
 Raman1 Fr= 1--     373.904                540.552                539.614
 ROA1   Fr= 1--    -784.640                569.892               -458.732
 CID1   Fr= 1--      -2.099                  1.054                 -0.850
 Raman2 Fr= 1--      45.644                 58.766                107.035
 ROA2   Fr= 1--    -158.191                129.103               -118.598
 CID2   Fr= 1--      -3.466                  2.197                 -1.108
 Raman3 Fr= 1--      91.288                117.532                214.070
 ROA3   Fr= 1--    -784.640                569.892               -458.732
 CID3   Fr= 1--      -8.595                  4.849                 -2.143
 RC180  Fr= 1--      -0.512                 -0.565                 -0.207
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.02  -0.03   0.03     0.00  -0.00   0.00
     2   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.01  -0.01   0.00    -0.04  -0.06   0.02    -0.00   0.00   0.00
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   6     0.02  -0.04   0.03    -0.00   0.01  -0.01     0.00   0.00   0.00
     6   6    -0.04  -0.05   0.01     0.01   0.01  -0.00     0.00   0.00  -0.00
     7   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     8   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     9   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    10   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    11   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    12   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    13   8    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    14   8    -0.00   0.00   0.00     0.00   0.00  -0.00     0.04   0.01  -0.05
    15   1    -0.02   0.04  -0.03    -0.19   0.37  -0.30    -0.00   0.00  -0.00
    16   1     0.10   0.14  -0.04     0.46   0.66  -0.21     0.00  -0.00   0.00
    17   1    -0.24   0.46  -0.35     0.04  -0.08   0.06     0.00  -0.00   0.00
    18   1     0.41   0.60  -0.18    -0.08  -0.11   0.03    -0.00  -0.00   0.00
    19   1     0.01   0.01   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    20   1     0.00   0.00   0.00    -0.00   0.00  -0.01    -0.00   0.00  -0.00
    21   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    22   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    23   1     0.00   0.00   0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
    24   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    25   1    -0.01  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    26   1     0.00   0.01   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    27   1    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    28   1    -0.00   0.01  -0.01     0.00  -0.00   0.00    -0.00   0.00   0.00
    29   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    30   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.58  -0.14   0.80
    31   1    -0.00   0.01  -0.00    -0.00   0.02  -0.01     0.00  -0.00  -0.00
    32   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    33   1     0.00   0.00  -0.00     0.00   0.00  -0.01    -0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  8 and mass  15.99491
 Atom    14 has atomic number  8 and mass  15.99491
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Molecular mass:   206.13068 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1287.498276738.777736840.31589
           X            0.99998  -0.00191   0.00550
           Y            0.00191   1.00000   0.00032
           Z           -0.00550  -0.00031   0.99998
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06727     0.01285     0.01266
 Rotational constants (GHZ):           1.40174     0.26781     0.26384
 Zero-point vibrational energy     746965.1 (Joules/Mol)
                                  178.52894 (Kcal/Mol)
 Warning -- explicit consideration of  22 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     35.05    56.07    71.41    81.13   124.06
          (Kelvin)            147.50   248.99   303.14   322.84   345.30
                              355.50   384.71   403.39   487.83   512.91
                              561.35   584.57   607.33   608.42   722.87
                              745.53   860.32   903.55   923.38   957.79
                             1012.13  1107.06  1119.97  1177.83  1206.60
                             1226.39  1233.06  1255.41  1295.57  1356.12
                             1378.65  1395.23  1400.98  1413.23  1459.79
                             1506.26  1559.31  1575.47  1588.17  1597.25
                             1649.11  1671.66  1730.58  1745.42  1760.32
                             1779.02  1790.62  1842.33  1883.94  1884.93
                             1941.79  1965.66  1978.77  1997.10  2003.66
                             2021.60  2037.17  2049.91  2101.74  2142.65
                             2143.19  2146.97  2154.44  2156.65  2170.58
                             2175.99  2232.90  2327.17  2385.80  2598.07
                             4320.50  4353.58  4355.79  4363.67  4384.21
                             4408.05  4418.07  4439.76  4443.44  4447.96
                             4455.49  4475.75  4502.98  4549.09  4556.93
                             4573.57  4583.11  5357.36
 
 Zero-point correction=                           0.284504 (Hartree/Particle)
 Thermal correction to Energy=                    0.300043
 Thermal correction to Enthalpy=                  0.300987
 Thermal correction to Gibbs Free Energy=         0.240275
 Sum of electronic and zero-point Energies=           -656.739092
 Sum of electronic and thermal Energies=              -656.723554
 Sum of electronic and thermal Enthalpies=            -656.722610
 Sum of electronic and thermal Free Energies=         -656.783321
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  188.280             58.568            127.778
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.874
 Rotational               0.889              2.981             32.451
 Vibrational            186.502             52.607             53.453
 Vibration     1          0.593              1.985              6.242
 Vibration     2          0.594              1.981              5.311
 Vibration     3          0.595              1.978              4.832
 Vibration     4          0.596              1.975              4.580
 Vibration     5          0.601              1.959              3.744
 Vibration     6          0.605              1.947              3.406
 Vibration     7          0.627              1.876              2.402
 Vibration     8          0.643              1.825              2.038
 Vibration     9          0.649              1.804              1.923
 Vibration    10          0.657              1.779              1.803
 Vibration    11          0.661              1.768              1.751
 Vibration    12          0.672              1.733              1.613
 Vibration    13          0.680              1.710              1.531
 Vibration    14          0.719              1.597              1.217
 Vibration    15          0.732              1.562              1.137
 Vibration    16          0.758              1.491              1.000
 Vibration    17          0.771              1.457              0.940
 Vibration    18          0.784              1.422              0.885
 Vibration    19          0.785              1.421              0.882
 Vibration    20          0.858              1.245              0.652
 Vibration    21          0.873              1.210              0.614
 Vibration    22          0.956              1.036              0.453
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.302725-110       -110.518952       -254.479292
 Total V=0       0.220635D+21         20.343674         46.843039
 Vib (Bot)       0.943697-125       -125.025168       -287.881087
 Vib (Bot)    1  0.850060D+01          0.929450          2.140137
 Vib (Bot)    2  0.530971D+01          0.725071          1.669537
 Vib (Bot)    3  0.416508D+01          0.619623          1.426734
 Vib (Bot)    4  0.366352D+01          0.563898          1.298423
 Vib (Bot)    5  0.238606D+01          0.377682          0.869644
 Vib (Bot)    6  0.200086D+01          0.301216          0.693575
 Vib (Bot)    7  0.116335D+01          0.065711          0.151306
 Vib (Bot)    8  0.942423D+00         -0.025754         -0.059301
 Vib (Bot)    9  0.879904D+00         -0.055565         -0.127942
 Vib (Bot)   10  0.817028D+00         -0.087763         -0.202082
 Vib (Bot)   11  0.790975D+00         -0.101837         -0.234489
 Vib (Bot)   12  0.723730D+00         -0.140424         -0.323337
 Vib (Bot)   13  0.685613D+00         -0.163921         -0.377442
 Vib (Bot)   14  0.547971D+00         -0.261242         -0.601532
 Vib (Bot)   15  0.515347D+00         -0.287901         -0.662916
 Vib (Bot)   16  0.460102D+00         -0.337146         -0.776308
 Vib (Bot)   17  0.436652D+00         -0.359865         -0.828620
 Vib (Bot)   18  0.415297D+00         -0.381641         -0.878761
 Vib (Bot)   19  0.414315D+00         -0.382669         -0.881128
 Vib (Bot)   20  0.326421D+00         -0.486221         -1.119566
 Vib (Bot)   21  0.312031D+00         -0.505802         -1.164653
 Vib (Bot)   22  0.250244D+00         -0.601636         -1.385319
 Vib (V=0)       0.687794D+06          5.837458         13.441244
 Vib (V=0)    1  0.901529D+01          0.954980          2.198922
 Vib (V=0)    2  0.583320D+01          0.765907          1.763565
 Vib (V=0)    3  0.469498D+01          0.671634          1.546494
 Vib (V=0)    4  0.419748D+01          0.622988          1.434484
 Vib (V=0)    5  0.293789D+01          0.468035          1.077691
 Vib (V=0)    6  0.256238D+01          0.408644          0.940937
 Vib (V=0)    7  0.176625D+01          0.247052          0.568858
 Vib (V=0)    8  0.156685D+01          0.195027          0.449065
 Vib (V=0)    9  0.151204D+01          0.179564          0.413462
 Vib (V=0)   10  0.145788D+01          0.163722          0.376984
 Vib (V=0)   11  0.143576D+01          0.157081          0.361692
 Vib (V=0)   12  0.137965D+01          0.139769          0.321830
 Vib (V=0)   13  0.134857D+01          0.129872          0.299042
 Vib (V=0)   14  0.124180D+01          0.094053          0.216565
 Vib (V=0)   15  0.121804D+01          0.085662          0.197243
 Vib (V=0)   16  0.117948D+01          0.071691          0.165074
 Vib (V=0)   17  0.116383D+01          0.065888          0.151713
 Vib (V=0)   18  0.114998D+01          0.060690          0.139743
 Vib (V=0)   19  0.114935D+01          0.060453          0.139198
 Vib (V=0)   20  0.109712D+01          0.040254          0.092688
 Vib (V=0)   21  0.108938D+01          0.037178          0.085605
 Vib (V=0)   22  0.105913D+01          0.024948          0.057444
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.116324D+09          8.065668         18.571887
 Rotational      0.275770D+07          6.440548         14.829909
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3        33333333333333333                           111111111111111111111111111111111111                                       
     7        11111100000000000                           8665554444444443333333222222111100009999998888877766655544433322222211     
     2        87663199887643220                           051510999986210987651084321064109841877540755317606429102209538644217085532
     4        59720171861473763                           687229972091565385600905633326045475240830372998936288823260690770413366094
 
     X        XXXXXXXXXXXXXXXXX                           XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX
     X             XX X   X XXX                           X  X           X            XX X X        X      X XXX                     
     X              X X     XX                            X              X            XX X X               X  XX                     
     X              X X                                   X                           X    X                   X                     
     X              X                                     X                           X                        X                     
                    X                                     X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000001178    0.000001280   -0.000000052
      2        6          -0.000001173    0.000000552    0.000000244
      3        6          -0.000000695   -0.000000641   -0.000002328
      4        6           0.000006063    0.000003035    0.000003642
      5        6          -0.000004768    0.000000520    0.000001781
      6        6           0.000003605   -0.000000223    0.000000922
      7        6          -0.000000279   -0.000000691    0.000002011
      8        6           0.000002423    0.000001264   -0.000001038
      9        6          -0.000001382   -0.000003848   -0.000000662
     10        6           0.000000641   -0.000000141   -0.000002315
     11        6          -0.000006060   -0.000004646   -0.000007542
     12        6           0.000000251   -0.000001668    0.000003198
     13        8           0.000000828    0.000001403   -0.000000760
     14        8           0.000000220    0.000002144    0.000001309
     15        1           0.000000913   -0.000001477   -0.000000384
     16        1           0.000000636   -0.000000121    0.000000020
     17        1           0.000000925   -0.000000300    0.000000159
     18        1          -0.000000870   -0.000000548    0.000000174
     19        1           0.000000350   -0.000000158    0.000000025
     20        1           0.000000335   -0.000000978   -0.000001909
     21        1          -0.000000210    0.000000238    0.000000607
     22        1           0.000000739    0.000000270   -0.000000704
     23        1          -0.000000254    0.000001292   -0.000000263
     24        1          -0.000000369    0.000000341   -0.000000512
     25        1          -0.000000680   -0.000000283    0.000000673
     26        1           0.000000238    0.000000085    0.000000080
     27        1          -0.000000070    0.000000076    0.000000447
     28        1           0.000000639   -0.000000423    0.000000682
     29        6          -0.000001262    0.000004214    0.000003095
     30        1           0.000000909   -0.000000468    0.000000046
     31        1          -0.000001047   -0.000000100   -0.000000501
     32        1           0.000000423    0.000000418   -0.000000173
     33        1           0.000000160   -0.000000422    0.000000027
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000007542 RMS     0.000001834
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.208313D+03  0.621683D+01  0.772439D+01
      2   0.621683D+01  0.151107D+03 -0.873029D+01
      3   0.772439D+01 -0.873029D+01  0.136333D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.652772D+01  0.421703D+01 -0.315481D+00
      2  -0.102900D+02  0.894915D+01 -0.490493D+02
      3  -0.345083D+02  0.483959D+02 -0.167246D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.186681D+03  0.210569D+02 -0.419949D+02
      2   0.812996D+02 -0.223709D+02 -0.248377D+01
      3   0.105381D+03  0.131398D+01  0.444786D+02
      4   0.295865D+02 -0.104977D+03  0.255987D+02
      5   0.153669D+02  0.283987D+02 -0.935924D+02
      6   0.575506D+01  0.223881D+02  0.261939D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.896470D+01  0.134466D+01  0.234266D+01  0.117269D+02 -0.472449D+00
      2   0.134466D+01 -0.176196D+01  0.109385D-02 -0.472449D+00  0.221697D+01
      3   0.234266D+01  0.109385D-02  0.630227D+00  0.135798D+01  0.851720D+00
                 6             7             8             9            10 
      1   0.135798D+01 -0.520847D+00 -0.174497D+01 -0.287717D-01 -0.286160D+02
      2   0.851720D+00 -0.174497D+01  0.788456D+00  0.855924D+00 -0.352851D-02
      3  -0.714412D+00 -0.287717D-01  0.855924D+00 -0.416765D+01 -0.322169D+01
                11            12            13            14            15 
      1  -0.352851D-02 -0.322169D+01  0.112293D+00 -0.117907D+01 -0.180823D+01
      2  -0.241988D+01  0.800515D+00 -0.117907D+01 -0.170378D+01 -0.350170D+00
      3   0.800515D+00 -0.180346D+01 -0.180823D+01 -0.350170D+00 -0.119350D+01
                16            17            18            19            20 
      1  -0.627693D+01 -0.176911D+01 -0.447661D+01 -0.668110D+01 -0.536943D+00
      2  -0.176911D+01 -0.763478D+00 -0.680732D+00 -0.536943D+00  0.681120D+00
      3  -0.447661D+01 -0.680732D+00 -0.295218D+01 -0.255543D+01 -0.146580D+01
                21            22            23            24            25 
      1  -0.255543D+01  0.913185D+01  0.693098D+00  0.268721D+01 -0.953412D+01
      2  -0.146580D+01  0.693098D+00  0.304097D+01  0.113314D+01 -0.969318D+00
      3   0.207076D+01  0.268721D+01  0.113314D+01  0.757717D+00 -0.453091D+00
                26            27            28            29            30 
      1  -0.969318D+00 -0.453091D+00  0.247628D+02  0.163004D+01  0.458915D+01
      2   0.194337D+01  0.810886D+00  0.163004D+01  0.227568D+01 -0.190431D+00
      3   0.810886D+00 -0.175512D+01  0.458915D+01 -0.190431D+00  0.246021D+01
                31            32            33            34            35 
      1   0.786918D+00  0.983289D+00  0.183151D+01  0.419932D+01  0.219743D+01
      2   0.983289D+00 -0.576018D+00  0.675179D+00  0.219743D+01  0.197782D+01
      3   0.183151D+01  0.675179D+00  0.198880D+01  0.512303D+01  0.896423D+00
                36            37            38            39            40 
      1   0.512303D+01 -0.103385D+02 -0.132116D+01 -0.292037D+01 -0.125442D+02
      2   0.896423D+00 -0.132116D+01  0.352012D+01 -0.130040D-02 -0.735812D+00
      3   0.224151D+01 -0.292037D+01 -0.130040D-02 -0.844349D+00 -0.137925D+01
                41            42            43            44            45 
      1  -0.735812D+00 -0.137925D+01  0.398635D+00  0.182152D+01  0.361294D+00
      2  -0.173744D+01 -0.134857D+01  0.182152D+01 -0.857080D+00 -0.119825D+01
      3  -0.134857D+01  0.556646D-01  0.361294D+00 -0.119825D+01  0.423524D+01
                46            47            48            49            50 
      1   0.753538D+01  0.479034D+00  0.280541D+01 -0.809733D+01  0.583366D+00
      2   0.479034D+00 -0.179767D+01  0.158125D+01  0.583366D+00 -0.229853D+01
      3   0.280541D+01  0.158125D+01 -0.168717D+01 -0.251473D+01 -0.114637D+01
                51            52            53            54            55 
      1  -0.251473D+01  0.111735D+02  0.457169D+00 -0.202778D+00  0.158420D+02
      2  -0.114637D+01  0.457169D+00 -0.356771D+01 -0.123653D+01 -0.165735D+01
      3  -0.983956D+00 -0.202778D+00 -0.123653D+01  0.141329D+01 -0.124890D+01
                56            57            58            59            60 
      1  -0.165735D+01 -0.124890D+01 -0.431980D+01  0.353047D+01  0.135462D+01
      2   0.188012D+01  0.835786D+00  0.353047D+01  0.460807D+01  0.204803D+01
      3   0.835786D+00  0.134109D+01  0.135462D+01  0.204803D+01 -0.266622D+01
                61            62            63            64            65 
      1  -0.462290D+01  0.155997D+01  0.346865D+01 -0.150422D+01  0.295143D+01
      2   0.155997D+01  0.878993D+00 -0.209726D+01  0.295143D+01 -0.109116D+01
      3   0.346865D+01 -0.209726D+01  0.452965D+01  0.538955D+01 -0.735277D+00
                66            67            68            69            70 
      1   0.538955D+01  0.741905D+01 -0.124719D+01 -0.100921D+01  0.131734D+02
      2  -0.735277D+00 -0.124719D+01 -0.441988D+01 -0.712840D+00 -0.168946D+01
      3   0.421307D+00 -0.100921D+01 -0.712840D+00  0.328548D+01  0.422506D+00
                71            72            73            74            75 
      1  -0.168946D+01  0.422506D+00  0.126598D-01 -0.301786D+01 -0.449588D+01
      2  -0.933165D+00  0.335113D+01 -0.301786D+01  0.174680D+01  0.118079D+01
      3   0.335113D+01 -0.141371D+01 -0.449588D+01  0.118079D+01  0.223861D+00
                76            77            78            79            80 
      1  -0.377682D+01  0.971413D+00  0.799431D+00 -0.614470D+01  0.157154D+01
      2   0.971413D+00  0.285665D+01  0.860682D+00  0.157154D+01  0.114399D+01
      3   0.799431D+00  0.860682D+00 -0.342705D+01  0.731496D+00 -0.419198D+01
                81            82            83            84            85 
      1   0.731496D+00  0.354347D-01 -0.194369D+01 -0.486871D+01 -0.293391D+01
      2  -0.419198D+01 -0.194369D+01  0.132077D+01  0.794864D+00  0.170181D+01
      3   0.262002D+01 -0.486871D+01  0.794864D+00  0.795861D+00  0.171491D+01
                86            87            88            89            90 
      1   0.170181D+01  0.171491D+01 -0.587557D+01  0.143721D+01  0.105809D+00
      2   0.599937D+01  0.338471D+00  0.143721D+01  0.122777D+01 -0.281681D+01
      3   0.338471D+00 -0.295739D+01  0.105809D+00 -0.281681D+01  0.762479D+00
                91            92            93            94            95 
      1  -0.355939D+01  0.805794D+00  0.317909D+00 -0.111373D+01 -0.223392D+01
      2   0.805794D+00 -0.116292D+01 -0.386196D+00 -0.223392D+01  0.167867D+01
      3   0.317909D+00 -0.386196D+00 -0.203071D+01 -0.186380D+01 -0.398716D+01
                96            97            98            99           100 
      1  -0.186380D+01  0.456066D+01 -0.132465D+01 -0.483505D+01 -0.252257D+01
      2  -0.398716D+01 -0.132465D+01 -0.319286D+01 -0.561336D+00 -0.209287D+01
      3  -0.207589D+01 -0.483505D+01 -0.561336D+00 -0.862534D+00 -0.635376D-01
               101           102           103           104           105 
      1  -0.209287D+01 -0.635376D-01 -0.452393D+01 -0.212014D+01  0.215123D+01
      2  -0.126586D+01  0.232303D+00 -0.212014D+01 -0.246233D+01  0.234288D+01
      3   0.232303D+00  0.127865D+01  0.215123D+01  0.234288D+01 -0.151589D+01
               106           107           108           109           110 
      1   0.366207D-02  0.912118D+00  0.153625D+01  0.554611D+01  0.366232D+01
      2   0.912118D+00  0.237353D+01 -0.562685D+00  0.366232D+01  0.236817D+01
      3   0.153625D+01 -0.562685D+00 -0.145900D+01 -0.153602D+01 -0.409428D+00
               111           112           113           114           115 
      1  -0.153602D+01  0.884837D+01  0.377219D+01 -0.185528D+01 -0.379025D+01
      2  -0.409428D+00  0.377219D+01  0.797051D+01 -0.161030D+01 -0.106086D+01
      3   0.705596D+00 -0.185528D+01 -0.161030D+01  0.316596D+01  0.180763D+01
               116           117           118           119           120 
      1  -0.106086D+01  0.180763D+01 -0.837346D+00 -0.975943D+00  0.207425D+01
      2  -0.227513D+01  0.224599D+01 -0.975943D+00  0.552325D-01 -0.606335D+00
      3   0.224599D+01 -0.232498D+01  0.207425D+01 -0.606335D+00 -0.273760D+01
               121           122           123           124           125 
      1  -0.465997D+01  0.197334D+01  0.446697D+00  0.273395D+01 -0.876477D+00
      2   0.197334D+01 -0.490694D+01 -0.155596D+01 -0.876477D+00  0.111669D+00
      3   0.446697D+00 -0.155596D+01 -0.128437D+01 -0.291454D+01 -0.461418D+00
               126           127           128           129           130 
      1  -0.291454D+01 -0.172328D+01  0.138413D+01 -0.120295D+01  0.143915D+01
      2  -0.461418D+00  0.138413D+01 -0.100887D+01  0.935683D+00 -0.152316D+01
      3   0.310990D+01 -0.120295D+01  0.935683D+00 -0.123459D+01  0.110193D+01
               131           132           133           134           135 
      1  -0.152316D+01  0.110193D+01 -0.178049D+01  0.153434D+01 -0.120923D+01
      2   0.404865D+01 -0.273358D+01  0.153434D+01 -0.272861D+01  0.212168D+01
      3  -0.273358D+01  0.284180D+01 -0.120923D+01  0.212168D+01 -0.237059D+01
               136           137           138           139           140 
      1   0.296092D+01  0.190718D+01 -0.391467D+00  0.290288D+01  0.257974D+01
      2   0.190718D+01  0.202970D+01 -0.329400D+00  0.257974D+01  0.436650D+01
      3  -0.391467D+00 -0.329400D+00  0.545894D+00 -0.937902D+00 -0.143244D+01
               141           142           143           144           145 
      1  -0.937902D+00 -0.766599D+00 -0.752282D+00  0.412347D+00  0.182034D+01
      2  -0.143244D+01 -0.752282D+00 -0.188727D+01  0.756499D+00 -0.143491D+01
      3   0.125015D+01  0.412347D+00  0.756499D+00 -0.681778D+00  0.141361D+01
               146           147           148           149           150 
      1  -0.143491D+01  0.141361D+01 -0.145447D+01  0.168665D+01 -0.119552D+01
      2   0.137396D+01 -0.112671D+01  0.168665D+01 -0.511594D+01  0.293385D+01
      3  -0.112671D+01  0.131792D+01 -0.119552D+01  0.293385D+01 -0.270302D+01
               151           152           153           154           155 
      1   0.142545D+01 -0.157802D+01  0.112894D+01 -0.304941D+01 -0.235490D+01
      2  -0.157802D+01  0.325514D+01 -0.211579D+01 -0.235490D+01 -0.279916D+01
      3   0.112894D+01 -0.211579D+01  0.193805D+01  0.506615D+00  0.357662D+00
               156           157           158           159           160 
      1   0.506615D+00 -0.299532D+01 -0.310197D+01  0.984328D+00  0.450420D+00
      2   0.357662D+00 -0.310197D+01 -0.580273D+01  0.141317D+01  0.652858D+00
      3  -0.325683D+00  0.984328D+00  0.141317D+01 -0.107497D+01 -0.331368D+00
               161           162           163           164           165 
      1   0.652858D+00 -0.331368D+00 -0.254455D+01 -0.161082D+01 -0.304376D+00
      2   0.199494D+01 -0.699190D+00 -0.161082D+01 -0.152172D+01 -0.673363D+00
      3  -0.699190D+00  0.476487D+00 -0.304376D+00 -0.673363D+00 -0.745836D+00
               166           167           168           169           170 
      1  -0.408063D+01 -0.256699D+01 -0.129435D+01  0.156415D+01 -0.581409D+00
      2  -0.256699D+01 -0.675861D+01 -0.244123D+01 -0.581409D+00 -0.101939D+01
      3  -0.129435D+01 -0.244123D+01 -0.173424D+01 -0.780468D+00 -0.107419D+01
               171           172           173           174           175 
      1  -0.780468D+00 -0.122481D+01  0.697724D+00 -0.110474D+01  0.352604D+01
      2  -0.107419D+01  0.697724D+00 -0.397797D+00  0.232670D-01 -0.904892D+00
      3  -0.135874D+01 -0.110474D+01  0.232670D-01 -0.930711D+00  0.834684D+00
               176           177           178           179           180 
      1  -0.904892D+00  0.834684D+00 -0.216287D+01  0.253932D+00 -0.229552D+01
      2   0.594496D+00 -0.139468D+01  0.253932D+00 -0.108878D+01  0.117388D+01
      3  -0.139468D+01  0.277275D+01 -0.229552D+01  0.117388D+01 -0.795347D+01
               181           182           183           184           185 
      1  -0.106122D+02 -0.106688D+01 -0.355666D+01 -0.193180D+01 -0.152012D+01
      2  -0.106688D+01 -0.117042D+01 -0.171241D+00 -0.152012D+01  0.252985D-01
      3  -0.355666D+01 -0.171241D+00 -0.222766D+01 -0.812309D-01 -0.537314D+00
               186           187           188           189           190 
      1  -0.812309D-01 -0.520673D+01  0.479406D-01 -0.257343D+01 -0.224910D+00
      2  -0.537314D+00  0.479406D-01 -0.623298D+00 -0.706560D+00  0.960856D+00
      3  -0.772341D+00 -0.257343D+01 -0.706560D+00 -0.213699D+01 -0.412982D+00
               191           192           193           194           195 
      1   0.960856D+00 -0.412982D+00  0.104198D+01 -0.602180D+00  0.204928D+00
      2  -0.290866D+00 -0.145943D-01 -0.602180D+00  0.293781D+01 -0.215970D+01
      3  -0.145943D-01 -0.211077D+00  0.204928D+00 -0.215970D+01  0.240592D+01
               196           197           198           199           200 
      1  -0.112361D+01  0.561646D+00 -0.495009D+00  0.583640D+01  0.278264D+00
      2   0.561646D+00 -0.357114D+01  0.311587D+01  0.278264D+00  0.193017D+01
      3  -0.495009D+00  0.311587D+01 -0.518465D+01  0.150717D+01  0.476538D+00
               201           202           203           204           205 
      1   0.150717D+01  0.687850D+00  0.682825D+00  0.243220D+00  0.196759D+01
      2   0.476538D+00  0.682825D+00  0.932045D+00  0.390011D+00  0.282882D+00
      3   0.142120D+01  0.243220D+00  0.390011D+00  0.750512D+00  0.929804D+00
               206           207           208           209           210 
      1   0.282882D+00  0.929804D+00 -0.590590D+01  0.341585D+01  0.247324D+01
      2   0.107766D+01  0.106555D+01  0.341585D+01 -0.313104D+01 -0.124528D+01
      3   0.106555D+01  0.127521D+01  0.247324D+01 -0.124528D+01 -0.177916D+01
               211           212           213           214           215 
      1   0.246147D+01 -0.251114D+01 -0.104760D+01  0.342629D+01 -0.197374D+01
      2  -0.251114D+01  0.253051D+01  0.112063D+01 -0.197374D+01  0.213944D+01
      3  -0.104760D+01  0.112063D+01  0.117531D+01 -0.217142D+01  0.188303D+01
               216           217           218           219           220 
      1  -0.217142D+01  0.727592D+01  0.347104D+00  0.830565D+00  0.273808D+00
      2   0.188303D+01  0.347104D+00  0.789381D+00 -0.141192D+00  0.289583D+00
      3   0.193481D+01  0.830565D+00 -0.141192D+00  0.256960D+01  0.999466D-01
               221           222           223           224           225 
      1   0.289583D+00  0.999466D-01  0.312326D+00 -0.474198D-01  0.167840D+01
      2  -0.374106D+00  0.404505D+00 -0.474198D-01  0.547551D+00  0.163205D+00
      3   0.404505D+00  0.706368D+00  0.167840D+01  0.163205D+00  0.243390D+01
               226           227           228           229           230 
      1  -0.110072D+01 -0.123842D+01  0.662200D+00 -0.202250D+01 -0.204235D+01
      2  -0.123842D+01 -0.140541D+01  0.761356D-01 -0.204235D+01 -0.819885D+01
      3   0.662200D+00  0.761356D-01 -0.411763D+00  0.423866D+00  0.856300D+00
               231           232           233           234           235 
      1   0.423866D+00  0.206481D+00 -0.122862D+00 -0.235532D+00 -0.669187D+01
      2   0.856300D+00 -0.122862D+00 -0.444642D+00 -0.609865D+00  0.897946D+00
      3  -0.131592D+01 -0.235532D+00 -0.609865D+00 -0.972960D-01  0.413037D+01
               236           237           238           239           240 
      1   0.897946D+00  0.413037D+01  0.245318D+01 -0.136765D+01 -0.151263D+01
      2  -0.125429D+01 -0.446012D+00 -0.136765D+01  0.507071D+00  0.792886D+00
      3  -0.446012D+00 -0.324260D+01 -0.151263D+01  0.792886D+00  0.188325D+01
               241           242           243           244           245 
      1   0.384501D+01 -0.568196D+00 -0.329771D+01 -0.195905D+00 -0.157706D+01
      2  -0.568196D+00  0.592461D+00  0.781019D+00 -0.157706D+01  0.823194D+00
      3  -0.329771D+01  0.781019D+00  0.369046D+01  0.384078D+00 -0.375249D+00
               246           247           248           249           250 
      1   0.384078D+00 -0.274380D+01  0.139449D+01 -0.734140D+00  0.707567D+00
      2  -0.375249D+00  0.139449D+01 -0.436501D+01  0.189468D+01 -0.533393D+00
      3   0.729476D+00 -0.734140D+00  0.189468D+01 -0.195008D+01  0.133548D+01
               251           252           253           254           255 
      1  -0.533393D+00  0.133548D+01 -0.674198D+01 -0.142485D+01 -0.566084D+01
      2   0.200959D+01 -0.137938D+01 -0.142485D+01  0.607541D+00 -0.507067D+00
      3  -0.137938D+01  0.241968D+01 -0.566084D+01 -0.507067D+00  0.124013D+01
               256           257           258           259           260 
      1   0.248670D+01  0.219341D+01  0.112255D+01 -0.301593D+01  0.508870D+00
      2   0.219341D+01 -0.138285D+01  0.357336D+01  0.508870D+00  0.339841D+01
      3   0.112255D+01  0.357336D+01  0.249172D+01  0.261568D+01  0.111873D+01
               261           262           263           264           265 
      1   0.261568D+01  0.427567D+01 -0.141237D+01 -0.301509D+01  0.478693D+00
      2   0.111873D+01 -0.141237D+01  0.115539D+01  0.893254D+00  0.487851D+00
      3  -0.760864D+00 -0.301509D+01  0.893254D+00  0.285311D+01 -0.476384D+00
               266           267           268           269           270 
      1   0.487851D+00 -0.476384D+00 -0.416763D+01  0.133459D+01  0.410269D+01
      2  -0.709913D+00 -0.429960D+00  0.133459D+01 -0.152831D+01 -0.149961D+01
      3  -0.429960D+00  0.375487D+00  0.410269D+01 -0.149961D+01 -0.519112D+01
               271           272           273           274           275 
      1   0.238147D+00  0.768367D+00  0.106565D+00  0.150678D+01  0.776776D-01
      2   0.768367D+00 -0.697476D+00 -0.163390D-01  0.776776D-01  0.575218D+01
      3   0.106565D+00 -0.163390D-01 -0.403440D+00  0.248262D+00 -0.462516D+00
               276           277           278           279           280 
      1   0.248262D+00 -0.848476D+00 -0.153796D+00 -0.531579D+00  0.107598D+02
      2  -0.462516D+00 -0.153796D+00 -0.200257D+01  0.292938D+00  0.197362D+01
      3   0.132824D+01 -0.531579D+00  0.292938D+00 -0.120293D+01  0.490794D+01
               281           282           283           284           285 
      1   0.197362D+01  0.490794D+01  0.445063D+00  0.104804D+01  0.224415D+00
      2   0.154846D+01  0.123974D+01  0.104804D+01  0.592714D+00  0.342869D+00
      3   0.123974D+01  0.343488D+01  0.224415D+00  0.342869D+00 -0.120371D+00
               286           287           288           289           290 
      1   0.358396D+01  0.695032D+00  0.264957D+01 -0.179158D+01  0.165245D+00
      2   0.695032D+00  0.305145D+00  0.622112D+00  0.165245D+00 -0.929287D+00
      3   0.264957D+01  0.622112D+00  0.274842D+01  0.211836D+01 -0.587665D+00
               291           292           293           294           295 
      1   0.211836D+01 -0.530806D+00 -0.520206D+00 -0.121476D+00  0.210518D+01
      2  -0.587665D+00 -0.520206D+00  0.154436D+00  0.330429D+00 -0.830841D-01
      3  -0.342396D+01 -0.121476D+00  0.330429D+00 -0.745506D+00 -0.157748D+01
               296           297 
      1  -0.830841D-01 -0.157748D+01
      2   0.717506D+00  0.636708D+00
      3   0.636708D+00  0.604451D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.802357D+00  0.333561D+01 -0.505246D+00  0.520943D+01  0.852191D+00
      2   0.464853D+01 -0.419580D+01  0.429376D+01 -0.109783D+01 -0.562664D+01
      3  -0.131817D+02 -0.725589D+01  0.255915D+01 -0.118656D+01 -0.238752D+01
                 6             7             8             9            10 
      1  -0.177101D+01  0.526396D+01  0.254733D+01  0.105891D+01 -0.405498D+01
      2   0.212263D+01 -0.111038D+02 -0.345958D+01  0.777076D+00 -0.707819D+01
      3   0.140829D+01  0.560545D+01  0.107919D+01 -0.489260D+00  0.186487D+02
                11            12            13            14            15 
      1  -0.238540D+01  0.625084D+00 -0.907675D+01  0.467110D+01 -0.180743D+01
      2   0.137532D+01 -0.232236D+01  0.699450D+01  0.422748D+01 -0.181477D+01
      3   0.141200D+01  0.142293D+01  0.192159D+02  0.228071D+01  0.159495D+01
                16            17            18            19            20 
      1   0.278509D+01  0.659599D+01 -0.534189D+01  0.824115D-01 -0.822269D+00
      2  -0.143504D+02 -0.172151D+01 -0.205432D-02  0.470128D+01 -0.572407D+00
      3  -0.191332D+01  0.169367D+01  0.101412D+01  0.624665D+01 -0.410375D+01
                21            22            23            24            25 
      1   0.188382D+00 -0.187933D+01 -0.197035D+01 -0.271651D+01 -0.654650D+01
      2   0.126379D+01 -0.607981D+01  0.216312D+01 -0.977473D+00 -0.104362D+02
      3   0.270349D+01 -0.117211D+01  0.856855D+00 -0.138430D+01  0.959073D+01
                26            27            28            29            30 
      1   0.176176D+01 -0.420840D+01  0.201709D+01 -0.455205D+01  0.346758D+01
      2   0.172935D+01 -0.283389D+01  0.498815D+01  0.201301D+01  0.508860D-01
      3  -0.182253D+01  0.480893D+01 -0.142918D+02  0.479409D+00 -0.410805D+01
                31            32            33            34            35 
      1  -0.663490D+01  0.400245D+01 -0.140093D+01  0.751168D+01  0.694689D+01
      2   0.540352D+01  0.460754D+01  0.134575D+01 -0.941844D+01 -0.918515D+00
      3   0.209553D+02  0.369883D+01  0.169160D+01 -0.857168D+01  0.110787D+01
                36            37            38            39            40 
      1  -0.190609D+01 -0.343063D+01  0.106779D+01 -0.123237D+01  0.806865D+00
      2  -0.488164D+01  0.718043D+00 -0.404719D+01  0.384858D+01 -0.118274D+01
      3  -0.606725D+01  0.468277D+01 -0.432785D+01  0.531247D+01  0.129713D+02
                41            42            43            44            45 
      1   0.573759D+00 -0.180810D+01  0.368771D+01  0.121176D+01  0.451843D+01
      2  -0.438075D+01  0.623134D-02 -0.984582D+01 -0.334438D+01  0.896164D+00
      3  -0.344848D+00  0.367885D+01  0.498132D+01  0.597509D+00  0.609506D+00
                46            47            48            49            50 
      1   0.478780D+01  0.132760D+01 -0.172109D+01 -0.479158D+01 -0.652667D+00
      2   0.638781D+01 -0.121649D+01  0.153248D+01 -0.770749D+01  0.224150D+01
      3  -0.670302D+01 -0.369511D+01 -0.186496D+01  0.930547D+01 -0.318778D+00
                51            52            53            54            55 
      1  -0.345578D+01 -0.646040D+01  0.240227D+01 -0.164211D+01  0.255855D+01
      2  -0.269747D+00 -0.663078D+01  0.296542D+01 -0.297637D+01  0.213127D+02
      3   0.147279D+01 -0.587277D+01 -0.353912D+01  0.137218D+01 -0.154272D+02
                56            57            58            59            60 
      1  -0.401598D+00 -0.130123D+01 -0.354219D+01 -0.640098D+01 -0.659271D+01
      2  -0.458047D+01 -0.302869D+01 -0.951237D+01 -0.826051D+00  0.109219D+02
      3   0.466828D+01  0.329334D+01  0.226129D+02  0.133023D+02  0.624416D+01
                61            62            63            64            65 
      1  -0.165277D+01 -0.117202D+01  0.693442D+01 -0.229783D+01 -0.117196D+00
      2  -0.255359D+02  0.104225D+02 -0.105822D+02 -0.317518D+02  0.445614D+01
      3   0.829323D+01  0.241715D+01 -0.110066D+02  0.182916D+02 -0.827806D+01
                66            67            68            69            70 
      1   0.414321D+00  0.425317D+01  0.509711D+00 -0.394577D+01 -0.247357D+00
      2   0.279445D+01  0.108756D+02  0.730708D+00 -0.136332D+02  0.462602D+01
      3  -0.268202D+01 -0.357037D+01 -0.187363D+02 -0.389931D+01 -0.117571D+02
                71            72            73            74            75 
      1   0.343595D+01 -0.514067D+00  0.878623D+01 -0.259329D+01 -0.871118D+00
      2  -0.150031D+02  0.641679D+01  0.194759D+02 -0.418613D+01  0.855859D+00
      3  -0.445545D+01  0.153973D+02 -0.163274D+02 -0.291637D+01 -0.420771D+01
                76            77            78            79            80 
      1  -0.185957D+01 -0.246589D+01  0.595775D+01 -0.293033D+01  0.124005D+02
      2  -0.373527D+01 -0.308673D+01  0.133365D+02 -0.529245D+01  0.163880D+02
      3  -0.212333D+01  0.151234D+02  0.545408D+01 -0.463205D+01  0.792157D+01
                81            82            83            84            85 
      1  -0.584012D+01 -0.526226D+01  0.276807D+01  0.228013D+01  0.494948D+01
      2  -0.101820D+02  0.245248D+02 -0.230549D+01  0.764780D+01 -0.501511D+01
      3  -0.165060D+02 -0.790716D+01  0.480605D+01  0.795390D+01  0.109100D+02
                86            87            88            89            90 
      1   0.110287D+02 -0.464381D+01  0.308247D+01  0.148946D+01 -0.414919D+01
      2  -0.305982D+01  0.109918D+02  0.607930D+01  0.107554D+02 -0.415692D+01
      3   0.247197D+02  0.640464D+00  0.113639D+02  0.473629D+01 -0.127632D+02
                91            92            93            94            95 
      1  -0.158434D+01 -0.192494D+01 -0.292177D+00 -0.525664D+01  0.174549D+01
      2   0.108532D+02 -0.898435D+00 -0.659302D+00 -0.366636D+01 -0.101151D+02
      3  -0.123226D+01 -0.130563D+01  0.101365D+01  0.138625D+02 -0.595499D+01
                96            97            98            99           100 
      1  -0.827770D+01  0.135877D+01  0.172970D+00  0.857321D-01  0.200377D+01
      2  -0.376021D+01 -0.284532D+02 -0.164821D+01  0.689260D+00 -0.214391D+02
      3   0.134972D+02  0.343020D+01  0.111035D+02  0.297377D+01  0.506018D+01
               101           102           103           104           105 
      1   0.603095D+01  0.244816D+01  0.355144D+01  0.201571D+01  0.529744D+01
      2   0.272863D+01  0.751534D+01  0.912970D+01  0.810523D+01 -0.745328D+01
      3   0.116809D+01 -0.127844D+01  0.671017D+01  0.126496D+02 -0.976842D+01
               106           107           108           109           110 
      1  -0.925093D+00  0.466403D+01  0.850145D-01 -0.138802D+01 -0.294872D+01
      2  -0.176876D+01 -0.285525D+01  0.740065D+01  0.852613D+00 -0.127015D+01
      3  -0.906427D+00 -0.170078D+02  0.792539D+00 -0.102046D+02 -0.114582D+02
               111           112           113           114           115 
      1  -0.309401D+01 -0.173499D+00 -0.541884D+01 -0.724087D+01 -0.829668D+00
      2   0.562586D+01 -0.912067D+01 -0.745714D+01  0.133327D+02  0.640385D+01
      3   0.138586D+01 -0.513720D+01 -0.330279D+02  0.550978D+01 -0.763019D+00
               116           117           118           119           120 
      1   0.321496D+01  0.148889D+01  0.285320D+01 -0.938171D+00 -0.110381D+01
      2   0.905071D+01 -0.125398D+02  0.941299D+01 -0.351558D+01 -0.692104D+01
      3   0.117664D+02 -0.838748D+01  0.444133D+01 -0.225014D+01  0.320149D+00
               121           122           123           124           125 
      1   0.270692D+01  0.358801D+01 -0.698983D+01 -0.218081D+01  0.165328D+01
      2   0.206064D+01 -0.484053D+01 -0.601080D+01 -0.949279D+01 -0.237850D+01
      3  -0.369915D-01  0.193410D+02  0.383085D+01  0.262539D+01  0.157216D+01
               126           127           128           129           130 
      1   0.285945D+01 -0.841018D+00  0.934169D+00  0.101235D+01  0.128777D+01
      2   0.880972D+01 -0.296143D+01  0.104853D+01 -0.750171D-01  0.217549D+01
      3   0.491922D+01 -0.289380D+01  0.552098D+00 -0.493172D+00  0.238089D+01
               131           132           133           134           135 
      1  -0.328541D+01 -0.135649D+01 -0.136327D+01  0.388227D+01 -0.180557D+00
      2   0.361965D+00 -0.176981D+01 -0.377551D+01  0.357016D+00  0.999465D+00
      3   0.147352D+01 -0.661368D+00 -0.225711D+01 -0.858899D+00  0.217913D+00
               136           137           138           139           140 
      1  -0.153221D+01 -0.239452D+01 -0.163858D+01 -0.115733D+01 -0.160403D+01
      2   0.315840D+01  0.165462D+01  0.729392D+00  0.274872D+01  0.137781D+01
      3   0.474430D+01  0.378114D+00 -0.356146D+00  0.509738D+01 -0.104597D+01
               141           142           143           144           145 
      1  -0.265854D+01 -0.212528D+00  0.179052D+01  0.545641D-01  0.164361D+01
      2   0.127125D+01 -0.912624D+00 -0.419541D+00 -0.661420D+00 -0.115939D+01
      3  -0.136746D+00  0.383667D+00  0.124385D+01  0.186792D+00 -0.426186D+01
               146           147           148           149           150 
      1  -0.494232D+00  0.270907D+01 -0.743086D+00  0.403988D+00 -0.450219D+01
      2   0.185716D+00  0.398883D+00  0.991459D+00  0.625177D+00 -0.190418D+01
      3   0.990814D+00 -0.187689D+01  0.355030D+01  0.782786D-01  0.829374D+00
               151           152           153           154           155 
      1   0.511079D+00  0.130645D+01  0.201812D+01  0.652754D+00 -0.679401D+00
      2  -0.245476D+01 -0.385978D-01  0.666737D+00  0.132142D+01  0.600938D+00
      3  -0.333879D+01  0.690784D+00 -0.116938D+01  0.612783D+01  0.566448D+00
               156           157           158           159           160 
      1  -0.193525D+01  0.176462D+01  0.159594D+01 -0.395754D+01 -0.165209D+00
      2   0.959763D+00  0.176311D+00  0.150101D+00  0.179851D+01 -0.108927D+01
      3  -0.822378D+00  0.554067D+01 -0.130034D+01 -0.591386D+00  0.168691D+00
               161           162           163           164           165 
      1   0.786492D+00  0.886010D+00  0.192946D+01  0.184112D+01 -0.167314D+00
      2   0.134312D+00 -0.617801D+00 -0.306204D+01 -0.199250D+00  0.309545D+01
      3   0.129716D+01 -0.625218D-01 -0.432510D+01 -0.516106D+01 -0.194222D+01
               166           167           168           169           170 
      1   0.246235D+01  0.870479D+01 -0.544857D+00  0.551996D+00  0.176979D+01
      2  -0.144266D+01  0.360082D+01  0.432089D+01  0.258577D+01  0.207645D+01
      3  -0.254953D+01 -0.207713D+02 -0.722458D+01 -0.322258D+01 -0.308165D+01
               171           172           173           174           175 
      1   0.489462D-01 -0.170071D+01  0.867324D+00 -0.452704D+00  0.153368D+01
      2   0.346340D+01  0.242515D+01  0.587446D+00  0.258614D+01  0.246869D+01
      3  -0.260756D+01  0.428142D+01 -0.307897D+01  0.100907D+01 -0.351510D+01
               176           177           178           179           180 
      1  -0.248033D+01  0.266958D+01 -0.164751D+01  0.528602D+01 -0.632694D+01
      2   0.311436D+01 -0.830110D+01  0.191928D+01 -0.333369D+01  0.226968D+02
      3   0.232750D+01 -0.530889D+01  0.188591D+01 -0.431992D+01  0.642331D+01
               181           182           183           184           185 
      1   0.333215D+00  0.110950D+01 -0.237960D-01  0.238218D+00  0.575222D-01
      2   0.878118D+01  0.392733D-02  0.107560D+02 -0.124299D+01  0.144803D+01
      3  -0.375025D+01 -0.809631D+01 -0.334668D+00 -0.470176D+01  0.606595D+00
               186           187           188           189           190 
      1  -0.678698D+00 -0.730732D-01  0.151364D+01  0.257077D+00  0.452538D+00
      2   0.368940D+01  0.568407D+01  0.353987D+01  0.817241D+01  0.174282D+01
      3  -0.217933D+01  0.139861D+01 -0.326482D+01 -0.322025D+01  0.506364D+01
               191           192           193           194           195 
      1   0.758860D-01  0.101672D+00 -0.155643D+00  0.305272D+01 -0.648019D+01
      2   0.254494D+00  0.113987D+01  0.211398D+00  0.801169D+01 -0.908698D+01
      3  -0.188639D+00 -0.775664D+00  0.146964D+01  0.107150D+02 -0.886542D+01
               196           197           198           199           200 
      1   0.268139D+00 -0.310218D+01  0.114339D+02 -0.252848D+01 -0.266300D+00
      2  -0.120500D+01 -0.113670D+02  0.199280D+02 -0.813104D+01 -0.194728D+01
      3  -0.127623D+01 -0.143793D+02  0.127843D+02  0.190508D+02  0.686794D+01
               201           202           203           204           205 
      1  -0.372543D+01 -0.529015D+00 -0.851553D+00 -0.222560D+01 -0.255054D+01
      2  -0.437797D+01 -0.100017D+01 -0.169061D+01 -0.222163D+01 -0.614075D+01
      3   0.564399D+01  0.686663D+01  0.422616D+01  0.256575D+01  0.568431D+01
               206           207           208           209           210 
      1  -0.432985D+00 -0.251304D+01 -0.541641D+01  0.173722D+01  0.497282D+01
      2  -0.375752D+01 -0.428431D+01 -0.979209D+01  0.499988D+01  0.915938D+01
      3   0.449420D+01  0.674100D+01  0.269469D+01 -0.916481D+01 -0.348844D+00
               211           212           213           214           215 
      1   0.271692D+01 -0.206705D+01 -0.384392D+01  0.452941D+01 -0.213137D+01
      2   0.355752D+01 -0.461000D+01 -0.554550D+01  0.731183D+01 -0.761355D+01
      3  -0.339884D+01  0.640633D+01  0.240766D+01 -0.286682D+00  0.640356D+01
               216           217           218           219           220 
      1  -0.452348D+01 -0.186501D+00  0.245858D+01  0.144144D+01  0.125602D+01
      2  -0.864294D+01 -0.205296D+02  0.349916D+00 -0.115983D+02 -0.945750D-01
      3   0.427874D+01 -0.550303D+01  0.204604D+01 -0.144220D+01  0.359367D+01
               221           222           223           224           225 
      1  -0.130177D+00 -0.229273D+00  0.133458D+01  0.202590D+01  0.166834D+01
      2  -0.234221D+01 -0.298838D+01 -0.112495D+02 -0.717152D+00 -0.124083D+02
      3  -0.186064D+01  0.123924D+01 -0.653381D+00  0.113126D+01 -0.106811D+01
               226           227           228           229           230 
      1  -0.101866D+01 -0.190138D+01 -0.528064D+00 -0.206477D+01 -0.116697D+02
      2  -0.267968D+01  0.914960D+00  0.157421D+01  0.820248D+00 -0.272732D+01
      3  -0.474171D+01 -0.541555D+01 -0.179490D+00 -0.324541D+01 -0.341116D+02
               231           232           233           234           235 
      1  -0.319433D+01 -0.175509D+00 -0.108566D+00 -0.110903D+01  0.450871D+01
      2   0.591482D+01 -0.714727D+00  0.237599D+01  0.109578D+01 -0.869756D+01
      3   0.297224D+01 -0.493338D+00 -0.205766D+01 -0.229727D+01  0.825966D+01
               236           237           238           239           240 
      1  -0.369988D+01 -0.278318D+01 -0.285605D+01  0.192912D+01  0.115005D+01
      2   0.474950D+00  0.109185D+02  0.283145D+01 -0.181412D+01 -0.724595D+01
      3  -0.845487D+01 -0.458390D+01 -0.675804D+01  0.359377D+01  0.402481D+01
               241           242           243           244           245 
      1  -0.381703D+01  0.319862D+01  0.339831D+01 -0.202246D+01  0.101296D+01
      2   0.650447D+01 -0.248192D+01 -0.129308D+02  0.141973D+01  0.244271D+00
      3  -0.516399D+01  0.407213D+01  0.559298D+01  0.531245D+01 -0.247851D+01
               246           247           248           249           250 
      1  -0.235776D+00  0.100098D+01 -0.510058D+01 -0.602721D+00 -0.663854D+00
      2   0.259683D+01  0.710116D+00  0.463568D+01 -0.480777D+01  0.166223D+01
      3   0.148273D+01  0.268509D+00  0.129824D+02 -0.538060D+01  0.109997D+01
               251           252           253           254           255 
      1   0.310633D+01 -0.438776D+00  0.372921D+01  0.353950D+01 -0.359361D+01
      2  -0.344334D+01  0.558254D+01 -0.448574D+01  0.903283D+00  0.173421D+02
      3  -0.625528D+01  0.366073D+01 -0.417435D+01 -0.666904D+01 -0.585491D+01
               256           257           258           259           260 
      1   0.414213D+01 -0.956435D+01  0.396992D+01 -0.986993D+00  0.909418D+01
      2   0.184729D+01  0.868739D+01  0.621379D+01  0.141131D+02  0.333611D+01
      3  -0.727744D+01  0.653946D+01 -0.126227D+02 -0.720517D+01 -0.114334D+02
               261           262           263           264           265 
      1   0.537446D+01 -0.260091D+01 -0.562334D+00  0.287695D+01 -0.570978D-02
      2  -0.653192D+01 -0.812547D+01  0.341737D+01  0.990973D+01 -0.154530D+01
      3  -0.211110D+01  0.107841D+01 -0.398193D+01 -0.527737D+00 -0.111622D+01
               266           267           268           269           270 
      1  -0.779743D+00 -0.128145D+00  0.379350D+01  0.606919D+00 -0.492370D+01
      2  -0.140099D+01  0.152066D+01  0.117497D+02 -0.497245D+01 -0.190691D+02
      3   0.160781D+01  0.143710D+01 -0.813343D+00  0.538657D+01  0.184471D+01
               271           272           273           274           275 
      1   0.252045D+01 -0.164884D+01  0.139983D+01 -0.921069D+00  0.131472D+02
      2   0.131089D+00 -0.105859D+01 -0.990264D+00 -0.147935D+01 -0.124018D+01
      3  -0.362926D+01  0.266457D+01 -0.685490D+00  0.397799D+01 -0.172035D+02
               276           277           278           279           280 
      1  -0.584264D+01  0.136227D+01 -0.397882D+01  0.484937D+01 -0.125384D+01
      2   0.319180D+01 -0.169819D+01  0.941576D+00 -0.281337D+01 -0.528312D+01
      3   0.225659D+01 -0.267012D+01  0.628619D+01 -0.206042D+01  0.489092D+01
               281           282           283           284           285 
      1   0.328631D+01 -0.173562D+01  0.178036D+01  0.138436D+01 -0.525929D+00
      2   0.769174D+00  0.440478D+01 -0.247355D+00 -0.101059D+01 -0.459512D+00
      3  -0.563409D+01  0.673413D+00 -0.152467D+01 -0.144426D+01 -0.203403D+00
               286           287           288           289           290 
      1  -0.167458D+01  0.103240D+01 -0.202160D+01 -0.254211D+01 -0.306210D+01
      2   0.123344D-01  0.513474D+00  0.450934D+01  0.121867D+02 -0.135328D+01
      3   0.216547D+01 -0.130766D+01  0.664560D+00 -0.342516D+01  0.175784D+01
               291           292           293           294           295 
      1   0.300259D+01 -0.187951D+01 -0.457147D+00  0.205764D+00  0.216675D+01
      2  -0.128558D+02  0.116741D+01  0.214020D+01 -0.172835D+01 -0.112439D+02
      3   0.395590D+01  0.218523D+01 -0.912114D+00 -0.664482D+00  0.312020D+01
               296           297 
      1   0.258637D+01 -0.574613D+01
      2   0.177857D+01  0.201459D+02
      3  -0.121762D+01 -0.446622D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.160194D+01  0.152919D+02 -0.519703D+01 -0.248321D+02  0.153901D+02
      2   0.556553D+01 -0.138191D+02  0.776557D+01  0.163654D+02 -0.471291D+01
      3  -0.396359D+01 -0.147288D+01 -0.256854D+01  0.846672D+01 -0.106772D+02
      4   0.122016D+02  0.466672D+01  0.600399D+01  0.158057D+02  0.215089D+00
      5  -0.888288D+01  0.776418D+01 -0.620320D+01 -0.640278D+01 -0.277475D+01
      6   0.877495D+01  0.244037D+01  0.287504D+00 -0.480876D+01  0.917873D+01
                 6             7             8             9            10 
      1  -0.134828D+02  0.892333D+01  0.383851D+01 -0.104365D+02  0.561985D+02
      2   0.662818D+01 -0.777897D+01  0.218697D+01 -0.977686D+01 -0.300334D+02
      3   0.685464D+01 -0.114436D+01 -0.602548D+01  0.202134D+02 -0.261651D+02
      4  -0.285479D+01  0.905742D+01 -0.735883D+01  0.300802D+01 -0.298580D+01
      5  -0.164862D+01  0.383699D+01  0.309247D+01 -0.136544D+01  0.501691D+01
      6  -0.648560D+01  0.602353D+01 -0.103453D+01  0.358341D+01  0.882937D+00
                11            12            13            14            15 
      1  -0.256265D+01  0.518818D+01 -0.113836D+02 -0.176078D+02  0.652051D+01
      2   0.634080D+01 -0.475716D+01  0.280172D+01  0.130748D+02 -0.112768D+02
      3  -0.377815D+01 -0.431014D+00  0.858192D+01  0.453296D+01  0.475624D+01
      4   0.678416D+01 -0.446177D+01 -0.133521D+02  0.258639D+01 -0.367196D-01
      5  -0.385188D+01  0.218533D+01  0.123987D+02 -0.968766D+00  0.221896D+01
      6   0.134162D+01 -0.116080D+01 -0.218186D+01 -0.469424D+01  0.577197D+01
                16            17            18            19            20 
      1  -0.977220D+00  0.833114D+01 -0.594472D+01  0.142121D+01 -0.155257D+02
      2  -0.175148D+01 -0.375391D+01 -0.208166D+01 -0.888047D+01  0.694839D+01
      3   0.272870D+01 -0.457724D+01  0.802638D+01  0.745926D+01  0.857729D+01
      4   0.148474D+02  0.317165D+01  0.421467D+00 -0.146446D+02 -0.708758D+01
      5   0.109039D+02  0.867767D+00  0.363629D+01  0.271688D+01 -0.355445D+01
      6   0.101861D+02  0.112542D+02  0.544395D+01 -0.587805D+01 -0.588671D+01
                21            22            23            24            25 
      1   0.124201D+02  0.171730D+02  0.227845D+01 -0.281806D+01 -0.108187D+02
      2  -0.242386D+01 -0.114431D+02 -0.225145D+01  0.345698D+01  0.116198D+02
      3  -0.999620D+01 -0.572996D+01 -0.269966D-01 -0.638925D+00 -0.801143D+00
      4  -0.129365D+01  0.691543D+01 -0.507116D+01  0.613687D+01 -0.953285D+01
      5   0.715486D+01  0.299433D+01  0.716755D+01 -0.287201D+01  0.801376D+01
      6   0.152894D+01  0.125934D+02  0.827324D+01  0.467203D+01 -0.779817D+01
                26            27            28            29            30 
      1  -0.153777D+02  0.785810D-01  0.980407D+01  0.298230D+01  0.194274D+01
      2   0.155848D+02 -0.481143D+01 -0.860996D+01 -0.369921D+01 -0.233077D+01
      3  -0.207025D+00  0.473285D+01 -0.119411D+01  0.716902D+00  0.388025D+00
      4  -0.662181D+00 -0.315601D+01 -0.151716D+01  0.596673D+01 -0.156990D+01
      5  -0.194290D+01 -0.519279D+01  0.399790D+01 -0.129476D+01  0.340903D+01
      6  -0.803968D-02 -0.429785D-01  0.715436D+01  0.215314D+01 -0.182128D+01
                31            32            33            34            35 
      1  -0.873541D+01 -0.175223D+02  0.575843D+01 -0.689298D+01  0.909194D+01
      2  -0.154044D+01  0.107192D+02 -0.120471D+02  0.129309D+01 -0.713049D+01
      3   0.102759D+02  0.680316D+01  0.628863D+01  0.559989D+01 -0.196145D+01
      4  -0.120664D+02 -0.214602D+01  0.216581D+00  0.166529D+02  0.370995D+01
      5   0.129926D+02  0.634989D+00  0.634244D+01  0.127446D+02  0.248169D+01
      6  -0.679833D+01 -0.648016D+01  0.429185D+01  0.416934D+01  0.959978D+01
                36            37            38            39            40 
      1  -0.312491D+01  0.842771D+01  0.214671D+02 -0.281619D+01 -0.154075D+02
      2  -0.947042D+00  0.240937D+01 -0.209422D+02  0.600993D+01  0.137719D+02
      3   0.407195D+01 -0.108371D+02 -0.524936D+00 -0.319374D+01  0.163562D+01
      4   0.201548D+01  0.863059D+01 -0.108675D+01  0.620149D+01  0.107945D+02
      5  -0.813379D+00 -0.754482D+01  0.876701D+01 -0.653310D+01 -0.551074D+00
      6   0.314120D+01  0.563133D+01 -0.212622D+01 -0.111427D+00 -0.773833D+01
                41            42            43            44            45 
      1   0.724779D+01 -0.112847D+02  0.672925D+01 -0.210270D+01 -0.854314D+01
      2   0.254516D+01  0.965157D+01 -0.976306D+01  0.725956D+01 -0.582240D+01
      3  -0.979295D+01  0.163316D+01  0.303381D+01 -0.515686D+01  0.143655D+02
      4   0.126792D+01 -0.433020D+01  0.455070D+01 -0.114597D+02  0.376604D+01
      5  -0.382482D+01 -0.362280D+01  0.786533D+01  0.366905D+01 -0.175669D+01
      6   0.121648D+02 -0.707347D+01  0.497025D+01  0.139168D+01 -0.144404D+01
                46            47            48            49            50 
      1  -0.134783D+01 -0.164086D+02  0.751738D+01  0.233701D+02 -0.440176D+01
      2  -0.713255D+01  0.848111D+01 -0.448680D+01 -0.179746D+02  0.313863D+01
      3   0.848039D+01  0.792745D+01 -0.303058D+01 -0.539546D+01  0.126313D+01
      4  -0.111778D+02 -0.957882D+01 -0.104509D+01  0.161026D+01 -0.587937D+01
      5  -0.339040D+01 -0.360400D+01  0.881287D+01  0.763282D+01  0.579922D+01
      6  -0.369901D+01 -0.836446D+01  0.460040D+01  0.111073D+02  0.119800D+02
                51            52            53            54            55 
      1  -0.205143D+01 -0.264872D+02 -0.217103D+02  0.927816D+00 -0.466561D+02
      2   0.408404D+01  0.161944D+02  0.235231D+02 -0.233318D+01  0.197676D+02
      3  -0.203261D+01  0.102928D+02 -0.181287D+01  0.140536D+01  0.268885D+02
      4   0.613472D+01 -0.891207D+01  0.242010D+01  0.928920D+00  0.113172D+02
      5  -0.455614D+00  0.106802D+02 -0.132839D+01 -0.340893D+01  0.169088D+02
      6   0.592232D+01 -0.349277D+01  0.578744D+01  0.782217D+00  0.142283D+01
                56            57            58            59            60 
      1   0.101032D+02  0.128607D+02  0.249273D+02 -0.392384D+01 -0.988300D+01
      2  -0.537914D+01 -0.591565D+01 -0.192968D+02 -0.376475D+01 -0.602852D+01
      3  -0.472411D+01 -0.694504D+01 -0.563049D+01  0.768859D+01  0.159115D+02
      4  -0.146283D+02 -0.572593D+01 -0.253283D+02 -0.362007D+02 -0.154787D+02
      5  -0.623893D+01 -0.907679D+01 -0.952867D+01 -0.147739D+02  0.177833D+02
      6  -0.341541D+01 -0.149380D+01 -0.106925D+02 -0.133400D+02 -0.613515D+01
                61            62            63            64            65 
      1   0.370637D+02 -0.106722D+02  0.313943D+01 -0.384372D+02 -0.220428D+02
      2  -0.104796D+02 -0.244585D+01  0.140347D+02  0.235946D+02  0.935263D+01
      3  -0.265841D+02  0.131181D+02 -0.171741D+02  0.148426D+02  0.126901D+02
      4  -0.972084D+01 -0.718000D+01  0.143168D+02 -0.233008D+02  0.102661D+02
      5  -0.200184D+02  0.143190D+02 -0.305841D+02 -0.552703D+02  0.456507D+01
      6  -0.179790D+01 -0.337471D+01  0.511666D+01  0.403714D+00  0.460497D+00
                66            67            68            69            70 
      1  -0.511038D+02 -0.414872D+02  0.985607D+01  0.493331D+01 -0.833428D+02
      2   0.249773D+02  0.246559D+02 -0.100876D+02 -0.454743D+01  0.406272D+02
      3   0.261265D+02  0.168314D+02  0.231509D+00 -0.385883D+00  0.427156D+02
      4   0.543672D+01  0.872493D+01  0.352290D+02  0.547642D+01  0.127723D+02
      5  -0.588885D+01  0.845854D+01  0.414772D+01 -0.260583D+02 -0.713302D+01
      6   0.109381D+01  0.162378D+01 -0.243166D+00  0.694541D-01 -0.268875D+01
                71            72            73            74            75 
      1   0.855353D+01 -0.136523D+02  0.880754D+01  0.245949D+02  0.363346D+02
      2  -0.565577D+01  0.956588D+01 -0.118974D+02 -0.833781D+01 -0.162674D+02
      3  -0.289776D+01  0.408638D+01  0.308985D+01 -0.162571D+02 -0.200673D+02
      4   0.948889D+01 -0.273574D+02  0.235521D+02 -0.229191D+02 -0.212630D+02
      5  -0.277316D+02  0.104679D+02  0.364133D+02 -0.129280D+02 -0.470088D+01
      6   0.143229D+01  0.209407D+01 -0.177296D+02  0.429801D+01 -0.795996D-01
                76            77            78            79            80 
      1   0.280060D+02 -0.148714D+02 -0.114115D+02  0.462049D+02 -0.193283D+02
      2  -0.123697D+02  0.185541D+02  0.725461D+01 -0.198220D+02  0.108981D+02
      3  -0.156363D+02 -0.368270D+01  0.415691D+01 -0.263829D+02  0.843022D+01
      4  -0.169383D+02 -0.161344D+02 -0.417997D+01 -0.268689D+02 -0.485706D+01
      5  -0.947737D+01 -0.426307D+01  0.277329D+02 -0.987260D+01  0.343463D+02
      6   0.333905D+01  0.510667D+01 -0.142338D+02  0.469821D+01 -0.165649D+02
                81            82            83            84            85 
      1   0.549442D+01  0.678699D+01  0.162673D+02  0.465908D+02  0.240750D+02
      2  -0.103914D+02  0.112728D+02 -0.118794D+02 -0.237924D+02 -0.202827D+02
      3   0.489703D+01 -0.180598D+02 -0.438790D+01 -0.227984D+02 -0.379228D+01
      4   0.347891D+02  0.178621D+02 -0.100267D+02 -0.506876D+01 -0.140668D+02
      5  -0.206907D+02  0.417825D+02 -0.102989D+02 -0.198156D+02 -0.204372D+02
      6   0.115284D+02 -0.300306D+01  0.233286D+01  0.290860D+01  0.305398D+01
                86            87            88            89            90 
      1  -0.988760D+01 -0.117211D+02  0.525755D+02 -0.734104D+01 -0.659043D+01
      2  -0.929699D+01  0.124737D+02 -0.278553D+02  0.920107D+01  0.382717D+01
      3   0.191846D+02 -0.752574D+00 -0.247202D+02 -0.186003D+01  0.276326D+01
      4  -0.539694D+02 -0.313795D+01 -0.973556D+01 -0.108694D+02  0.238521D+02
      5   0.439478D+00  0.268100D+02 -0.156407D+02  0.247731D+02 -0.323993D+01
      6   0.947946D+01  0.318966D+01  0.490473D+01  0.380342D+01 -0.871794D+01
                91            92            93            94            95 
      1   0.490316D+01  0.839676D+01  0.149840D+02  0.616542D+01  0.511681D+01
      2  -0.434711D+01 -0.408688D+01 -0.435127D+01  0.421366D+00  0.230116D+01
      3  -0.556054D+00 -0.430987D+01 -0.106327D+02 -0.658679D+01 -0.741797D+01
      4   0.784063D+01 -0.383981D+01 -0.959355D-01 -0.120613D+02  0.129701D+02
      5   0.116791D+02 -0.105153D+00 -0.638907D+01 -0.908407D+01 -0.249837D+02
      6   0.986420D+00 -0.483675D+01 -0.593777D+00 -0.125375D+02  0.491403D+01
                96            97            98            99           100 
      1   0.271681D+01  0.314317D+02  0.528450D+00 -0.104070D+02 -0.855298D+01
      2   0.369528D+01 -0.129541D+02 -0.376231D-01  0.555273D+01  0.178442D+01
      3  -0.641209D+01 -0.184776D+02 -0.490826D+00  0.485430D+01  0.676857D+01
      4  -0.244009D+02 -0.887760D+01 -0.202426D+02 -0.889021D+00 -0.147009D+02
      5  -0.795852D+01 -0.304693D+02 -0.666701D+00 -0.351227D+01  0.553828D+01
      6  -0.156679D+02 -0.384887D+01 -0.115430D+02 -0.407930D+01  0.113536D+01
               101           102           103           104           105 
      1  -0.105240D+02 -0.405043D+01 -0.289846D+02 -0.146885D+02  0.113305D+02
      2   0.514577D+01  0.160897D+00  0.185476D+02  0.650749D+00 -0.112119D+02
      3   0.537821D+01  0.388954D+01  0.104370D+02  0.140377D+02 -0.118580D+00
      4  -0.171510D+02  0.254321D+01 -0.325508D+02 -0.201244D+02  0.187784D+02
      5   0.313087D+01  0.576491D+01  0.192864D+02  0.185050D+02 -0.167336D+02
      6   0.806936D+01 -0.839305D+00  0.930469D+01  0.353878D+01 -0.115207D+02
               106           107           108           109           110 
      1   0.100063D+02  0.574159D+01  0.136459D+02  0.481578D+02  0.255652D+02
      2  -0.102459D+01 -0.310760D+01 -0.809203D+01 -0.221514D+02 -0.964538D+01
      3  -0.898173D+01 -0.263399D+01 -0.555386D+01 -0.260064D+02 -0.159198D+02
      4   0.669923D+01  0.312360D+02 -0.626454D+01  0.351946D+02  0.302743D+02
      5   0.118028D+02 -0.585653D+01 -0.103114D+01 -0.182264D+02 -0.663386D+01
      6  -0.453859D-01 -0.607725D+01  0.385301D+00 -0.660465D+01 -0.593669D+01
               111           112           113           114           115 
      1  -0.109593D+02  0.482486D+02  0.123588D+02 -0.686777D+01 -0.194503D+02
      2   0.643948D+01 -0.212988D+02  0.659348D+01  0.498678D+01  0.125219D+02
      3   0.451980D+01 -0.269499D+02 -0.189522D+02  0.188099D+01  0.692835D+01
      4  -0.441300D+01  0.413976D+02  0.688620D+02 -0.143186D+02 -0.108386D+02
      5   0.134537D+02 -0.207896D+02 -0.144972D+02  0.274657D+02  0.222845D+02
      6   0.376572D+01 -0.663440D+01 -0.170229D+02  0.144710D+02  0.376709D+01
               116           117           118           119           120 
      1  -0.144857D+01  0.271795D+01  0.513257D+00 -0.117422D+02  0.128348D+02
      2   0.932879D+00 -0.766800D+01  0.823377D+01  0.202176D+01 -0.118298D+02
      3   0.515686D+00  0.495005D+01 -0.874702D+01  0.972045D+01 -0.100504D+01
      4  -0.231913D+02  0.194750D+02 -0.952141D+01  0.961049D+01 -0.689727D+01
      5   0.187987D+02 -0.227469D+02  0.198954D+02 -0.378898D+01 -0.195007D+02
      6   0.144400D+02 -0.960685D+01 -0.224966D+01  0.193294D+00  0.307575D+01
               121           122           123           124           125 
      1  -0.248044D+02  0.292237D+01 -0.406403D+01  0.221336D+02 -0.107917D+02
      2   0.748916D+01  0.132771D+02  0.203723D+01 -0.182858D+02  0.541250D+01
      3   0.173152D+02 -0.161994D+02  0.202680D+01 -0.384779D+01  0.537921D+01
      4   0.302369D+02 -0.450067D+02 -0.126988D+02 -0.765920D+01 -0.143807D+01
      5   0.764427D+01 -0.100642D+02 -0.119301D+02 -0.244373D+02 -0.197434D+01
      6  -0.571386D+01  0.121941D+02  0.125369D+02  0.387699D+01  0.742710D+01
               126           127           128           129           130 
      1  -0.259133D+02 -0.424057D-01  0.108732D+01 -0.283321D+01  0.286731D+01
      2   0.176923D+02 -0.777700D+00  0.664299D-01 -0.151622D+01 -0.231015D+01
      3   0.822104D+01  0.820106D+00 -0.115375D+01  0.434943D+01 -0.557157D+00
      4  -0.991530D+00 -0.682303D+01  0.683644D+01 -0.455972D+01  0.777680D+01
      5   0.273983D+02  0.453649D+01 -0.425595D+01  0.531563D+01 -0.424425D+01
      6   0.926981D+00 -0.478832D+01  0.482717D+01 -0.430644D+01  0.595655D+01
               131           132           133           134           135 
      1  -0.150188D+02  0.124118D+02 -0.518260D+00  0.873833D+01 -0.103453D+02
      2   0.111085D+02 -0.335560D+01 -0.928834D+00 -0.452664D+01  0.104987D+01
      3   0.391024D+01 -0.905617D+01  0.144709D+01 -0.421169D+01  0.929539D+01
      4  -0.110748D+02  0.641715D+01 -0.656501D+01  0.839709D+01 -0.664131D+01
      5   0.476517D+01 -0.459482D+01  0.522375D+01 -0.471609D+01  0.695591D+01
      6  -0.163325D+02  0.137806D+02 -0.527062D+01  0.119304D+02 -0.120332D+02
               136           137           138           139           140 
      1   0.206848D+01 -0.251903D+01  0.177362D+00 -0.199292D+01 -0.116052D+02
      2   0.193979D+01  0.549529D+01 -0.468207D+00  0.519873D+01  0.165332D+02
      3  -0.400827D+01 -0.297626D+01  0.290845D+00 -0.320580D+01 -0.492798D+01
      4   0.766844D+01  0.782963D+01 -0.177400D+01  0.103115D+02  0.128376D+02
      5  -0.474670D+01 -0.304552D+01  0.343840D+01 -0.593878D+01 -0.690192D+01
      6  -0.183965D+01 -0.219942D+01  0.241409D+01 -0.457847D+01 -0.866265D+01
               141           142           143           144           145 
      1   0.443825D+01  0.744237D+00  0.540829D+01 -0.316725D+01 -0.288203D+01
      2  -0.324468D+01 -0.171841D+01 -0.582619D+01  0.181724D+01  0.340782D+01
      3  -0.119358D+01  0.974174D+00  0.417900D+00  0.135000D+01 -0.525788D+00
      4  -0.339523D+01 -0.294183D+01 -0.299533D+01  0.264189D+01 -0.785248D+01
      5   0.534896D+01  0.323850D+01  0.304965D+01 -0.256555D+01  0.453553D+01
      6   0.626704D+01  0.262405D+01  0.502227D+01 -0.364728D+01 -0.614384D+01
               146           147           148           149           150 
      1   0.440096D+01 -0.413632D+01  0.585904D+01 -0.222939D+02  0.141341D+02
      2  -0.476217D+01  0.191488D+01 -0.676691D+01  0.251380D+02 -0.105705D+02
      3   0.361217D+00  0.222144D+01  0.907866D+00 -0.284413D+01 -0.356354D+01
      4   0.893568D+01 -0.577339D+01  0.849800D+01 -0.124024D+02  0.651805D+01
      5  -0.394887D+01  0.469390D+01 -0.383560D+01  0.340296D+01 -0.345360D+01
      6   0.640807D+01 -0.594088D+01  0.681457D+01 -0.193811D+02  0.152636D+02
               151           152           153           154           155 
      1  -0.464298D+01  0.140032D+02 -0.112996D+02  0.202362D+01 -0.360659D+01
      2   0.473545D+01 -0.137293D+02  0.681597D+01  0.688890D+01  0.124435D+02
      3  -0.924691D-01 -0.273874D+00  0.448360D+01 -0.891252D+01 -0.883688D+01
      4  -0.667975D+01  0.937905D+01 -0.649840D+01  0.147611D+02  0.154556D+02
      5   0.380682D+01 -0.345409D+01  0.458515D+01 -0.494393D+01 -0.358963D+01
      6  -0.567085D+01  0.135768D+02 -0.123719D+02 -0.153760D+01 -0.950853D+00
               156           157           158           159           160 
      1  -0.813660D+00 -0.136763D+01 -0.160126D+02  0.330830D+01  0.361023D+01
      2  -0.801527D+00  0.111666D+02  0.309254D+02 -0.515390D+01 -0.408460D+01
      3   0.161519D+01 -0.979901D+01 -0.149129D+02  0.184560D+01  0.474363D+00
      4  -0.279375D+01  0.168499D+02  0.235868D+02 -0.531511D+01 -0.311092D+01
      5   0.319530D+01 -0.644327D+01 -0.723308D+01  0.519875D+01  0.210354D+01
      6   0.267847D+01 -0.405927D+01 -0.749895D+01  0.628962D+01  0.260961D+01
               161           162           163           164           165 
      1   0.702016D+01 -0.278900D+01  0.125942D+02  0.721279D+01  0.952895D-01
      2  -0.102853D+02  0.311659D+01 -0.272990D+01 -0.199022D+01 -0.609237D+00
      3   0.326514D+01 -0.327588D+00 -0.986430D+01 -0.522257D+01  0.513948D+00
      4  -0.501925D+01  0.356011D+01  0.149644D+02  0.166494D+02  0.626832D+01
      5   0.366346D+01 -0.220298D+01  0.433049D+01  0.728373D+01  0.801247D+01
      6   0.485187D+01 -0.330626D+01  0.523879D+01  0.461102D+01  0.267812D+01
               166           167           168           169           170 
      1   0.132429D+02 -0.701824D+01 -0.275970D+01 -0.702437D+01 -0.118744D+01
      2  -0.203087D+01  0.172857D+02  0.272899D+01  0.244691D+01  0.374354D+00
      3  -0.112120D+02 -0.102674D+02  0.307139D-01  0.457746D+01  0.813081D+00
      4   0.247517D+02  0.486883D+02  0.175769D+02  0.492838D+01  0.711013D+01
      5   0.125201D+02  0.171329D+02  0.124542D+02  0.715641D+01  0.729468D+01
      6   0.942113D+01  0.218234D+02  0.127585D+02  0.317739D+01  0.838295D+01
               171           172           173           174           175 
      1  -0.208782D+01  0.533152D+01 -0.376782D+01  0.539556D+01 -0.126205D+02
      2  -0.723517D+00 -0.712211D+01  0.242276D+01 -0.496789D+01  0.997390D+01
      3   0.281134D+01  0.179059D+01  0.134506D+01 -0.427671D+00  0.264655D+01
      4   0.780573D+01 -0.495476D+01  0.464635D+01 -0.438604D+00  0.641542D+01
      5   0.937038D+01  0.894223D+01 -0.142125D+01  0.131056D+02 -0.737912D+01
      6   0.538336D+01 -0.205428D+01  0.989250D+00  0.498281D-01  0.266288D+01
               176           177           178           179           180 
      1  -0.131425D+01  0.570226D+01  0.508621D+01  0.239158D+01 -0.166097D+02
      2  -0.171826D+01  0.658756D+01 -0.109536D+02  0.336044D+01 -0.226496D+02
      3   0.303251D+01 -0.122898D+02  0.586738D+01 -0.575202D+01  0.392592D+02
      4  -0.359065D+01  0.894846D+01 -0.144061D+01  0.742663D+01 -0.760443D+01
      5   0.924398D+01 -0.185532D+02  0.215162D+02 -0.759264D+01  0.512965D+02
      6  -0.326645D+01  0.663196D+01 -0.939470D+00  0.603531D+01 -0.234048D+01
               181           182           183           184           185 
      1   0.113741D+03  0.112476D+02  0.357441D+02  0.158242D+02  0.128726D+02
      2  -0.608304D+02 -0.689956D+01 -0.200943D+02 -0.823801D+01 -0.511818D+01
      3  -0.529106D+02 -0.434807D+01 -0.156498D+02 -0.758618D+01 -0.775443D+01
      4   0.999015D+01  0.139397D+02  0.157040D+01  0.183092D+02  0.919642D+00
      5   0.414450D+02  0.229562D+01  0.264388D+02  0.224758D+01  0.633885D+01
      6   0.124090D+01  0.126342D+01  0.909232D+00  0.281888D+01  0.111430D+01
               186           187           188           189           190 
      1   0.231804D+01  0.441452D+02  0.143973D+01  0.240804D+02  0.887646D-01
      2  -0.110151D+01 -0.259728D+02 -0.129899D+01 -0.172335D+02  0.123032D+01
      3  -0.121653D+01 -0.181725D+02 -0.140743D+00 -0.684687D+01 -0.131909D+01
      4   0.622254D+01  0.304319D+00  0.552068D+01  0.583041D+01 -0.813788D+01
      5   0.655909D+01  0.312748D+02  0.649847D+01  0.230386D+02  0.371578D+01
      6   0.287180D+01  0.783598D+00  0.219255D+01  0.765762D+00 -0.192415D+01
               191           192           193           194           195 
      1  -0.863419D+01  0.397271D+01 -0.665900D+01 -0.778452D+01  0.745622D+01
      2   0.412457D+01 -0.253887D+01  0.162014D+01  0.140481D+02 -0.972886D+01
      3   0.450962D+01 -0.143384D+01  0.503887D+01 -0.626358D+01  0.227264D+01
      4   0.660882D+01 -0.196270D+01  0.955024D+01 -0.225750D+02  0.163986D+02
      5  -0.117768D+01  0.489965D+01 -0.271250D+01  0.166548D+02 -0.183492D+02
      6  -0.250821D+00 -0.305856D+00  0.134623D+01 -0.129292D+02  0.148822D+02
               196           197           198           199           200 
      1   0.751697D+01  0.930156D+01 -0.109799D+02 -0.386090D+02 -0.116804D+02
      2  -0.269509D+01 -0.132888D+02  0.542128D+01  0.209505D+02  0.117150D+02
      3  -0.482187D+01  0.398724D+01  0.555865D+01  0.176585D+02 -0.345164D-01
      4  -0.864231D+01  0.281064D+02 -0.248259D+02  0.106157D+02 -0.783242D+01
      5   0.807053D+01 -0.248073D+02  0.405262D+02 -0.707213D+01 -0.152011D+01
      6  -0.330360D+01  0.175578D+02 -0.244967D+02  0.714850D+01  0.350404D+01
               201           202           203           204           205 
      1  -0.148434D+02 -0.891187D+01 -0.836040D+01 -0.289945D+01 -0.171443D+02
      2   0.740100D+01  0.682061D+01  0.785145D+01  0.328118D+01  0.798269D+01
      3   0.744238D+01  0.209126D+01  0.508950D+00 -0.381729D+00  0.916160D+01
      4   0.288657D+01  0.229203D+01 -0.271395D+01 -0.450015D+00  0.559938D+01
      5  -0.680667D+01 -0.215997D+00 -0.178207D+01 -0.414687D+01 -0.256554D+01
      6   0.674947D+01  0.244142D+01  0.222932D+01  0.490547D+01  0.411157D+01
               206           207           208           209           210 
      1  -0.514895D+01 -0.127676D+02  0.518065D+02 -0.227814D+02 -0.191665D+02
      2   0.531629D+01  0.633968D+01 -0.185518D+02  0.191067D+01  0.847814D+01
      3  -0.167346D+00  0.642796D+01 -0.332547D+02  0.208708D+02  0.106883D+02
      4  -0.544220D+01 -0.382256D+01 -0.452234D+02  0.370249D+02  0.168448D+02
      5  -0.692675D+01 -0.558217D+01 -0.257367D+02  0.126442D+02  0.193913D+02
      6   0.638836D+01  0.492656D+01  0.109587D+02 -0.683191D+01 -0.844158D+01
               211           212           213           214           215 
      1  -0.172485D+02  0.136289D+02  0.526498D+01 -0.259699D+02  0.102717D+02
      2   0.535542D+00  0.264356D+01  0.682745D+00  0.103807D+02  0.495889D+00
      3   0.167130D+02 -0.162725D+02 -0.594772D+01  0.155892D+02 -0.107676D+02
      4   0.308091D+02 -0.286566D+02 -0.124050D+02  0.259676D+02 -0.231028D+02
      5   0.106396D+02 -0.110639D+02 -0.108167D+02  0.231874D+02 -0.173505D+02
      6  -0.642849D+01  0.702072D+01  0.784614D+01 -0.100262D+02  0.104366D+02
               216           217           218           219           220 
      1   0.119903D+02 -0.482561D+02 -0.256003D+01 -0.179181D+02 -0.330936D+01
      2  -0.507027D+01  0.189547D+02  0.988136D+00  0.411236D+00  0.189088D+01
      3  -0.692002D+01  0.293014D+02  0.157189D+01  0.175068D+02  0.141848D+01
      4  -0.200450D+02 -0.724184D+01 -0.517792D+01  0.602621D+00 -0.262377D+00
      5  -0.194055D+02  0.675928D+01  0.256368D+01 -0.117583D+02  0.894893D+00
      6   0.906471D+01  0.705997D+00  0.335976D+01 -0.161213D+01  0.174499D+01
               221           222           223           224           225 
      1  -0.503182D+01 -0.173252D+01 -0.134217D+02  0.385497D+00 -0.194841D+02
      2   0.382381D+01 -0.112354D+01  0.109588D+01 -0.134637D+01 -0.222396D+00
      3   0.120801D+01  0.285606D+01  0.123258D+02  0.960873D+00  0.197065D+02
      4   0.398203D+01 -0.217346D+01 -0.100940D+01 -0.282203D+01 -0.258608D+01
      5  -0.144017D+01 -0.500994D+01 -0.371967D+01 -0.101395D+01 -0.107040D+02
      6  -0.500463D+00  0.282465D+01 -0.120239D+01  0.259510D+01 -0.110232D+01
               226           227           228           229           230 
      1   0.887267D+01  0.103337D+02 -0.556098D+01  0.150698D+02  0.208704D+01
      2  -0.290101D+01 -0.206370D+01  0.332111D+01 -0.282028D+01  0.207184D+02
      3  -0.597166D+01 -0.826998D+01  0.223987D+01 -0.122496D+02 -0.228055D+02
      4   0.133037D+02  0.168340D+02 -0.108283D+01  0.246345D+02  0.730114D+02
      5  -0.702705D+01 -0.224025D+01  0.573452D+01 -0.685704D+01 -0.958068D+01
      6  -0.196641D+01 -0.261243D+01  0.937186D+00 -0.516544D+01 -0.178807D+02
               231           232           233           234           235 
      1   0.558831D+00 -0.103262D+01  0.246055D+01 -0.203602D+00  0.635318D+02
      2   0.139961D+01  0.148061D+01  0.901602D+00  0.110997D+01 -0.428670D+02
      3  -0.195844D+01 -0.447987D+00 -0.336216D+01 -0.906367D+00 -0.206648D+02
      4  -0.777778D+01  0.157961D+01  0.441296D+01  0.544605D+01 -0.652088D+01
      5   0.114829D+02  0.416775D+01  0.525988D+01  0.818769D+00 -0.523749D+02
      6   0.737464D+01  0.852113D+00  0.516081D+01 -0.546432D+00  0.213717D+01
               236           237           238           239           240 
      1  -0.885923D+01 -0.331014D+02 -0.212252D+02  0.100534D+02  0.986379D+01
      2   0.639953D+01  0.266499D+02  0.147500D+02 -0.501545D+01 -0.100703D+02
      3   0.245970D+01  0.645147D+01  0.647525D+01 -0.503791D+01  0.206497D+00
      4   0.136016D+02  0.267684D+01  0.138256D+02 -0.554058D+01 -0.760419D+01
      5   0.622972D+01  0.402019D+02  0.187938D+02 -0.964810D+01 -0.196338D+02
      6  -0.495369D+01 -0.832118D+00 -0.527580D+01  0.309648D+01  0.409943D+01
               241           242           243           244           245 
      1  -0.324051D+02  0.347730D+01  0.214125D+02  0.180292D+01 -0.695518D+01
      2   0.268233D+02 -0.435571D+01 -0.246702D+02 -0.368440D+00  0.340709D+01
      3   0.558179D+01  0.878411D+00  0.325766D+01 -0.143448D+01  0.354809D+01
      4   0.341487D+01 -0.619752D+01 -0.583008D+01 -0.109576D+02  0.856113D+01
      5   0.414612D+02 -0.801872D+01 -0.411624D+02  0.538423D+01 -0.456399D+01
      6  -0.156859D+01  0.382915D+01  0.170833D+01 -0.605430D+01  0.284549D+01
               246           247           248           249           250 
      1   0.838929D+00 -0.963561D+01 -0.459853D+01  0.435684D+01  0.141100D+00
      2  -0.116042D+01  0.390967D+01  0.683901D+01 -0.910641D+00 -0.192723D+01
      3   0.321486D+00  0.572594D+01 -0.224048D+01 -0.344620D+01  0.178613D+01
      4  -0.414143D+01  0.127205D+02 -0.279432D+02  0.126601D+02 -0.526084D+01
      5   0.741649D+01 -0.639700D+01  0.129072D+02 -0.128121D+02  0.109113D+02
      6  -0.176300D+01  0.499375D+01 -0.155294D+02  0.987641D+01 -0.330997D+01
               251           252           253           254           255 
      1   0.217661D+01 -0.293704D+01 -0.283618D+02 -0.103012D+02 -0.418463D+02
      2   0.875413D+00 -0.342838D+01  0.327398D+02  0.100150D+02  0.124517D+02
      3  -0.305203D+01  0.636542D+01 -0.437798D+01  0.286278D+00  0.293945D+02
      4   0.128700D+02 -0.950100D+01 -0.164157D+02  0.245651D+01 -0.123234D+02
      5  -0.905050D+01  0.148432D+02 -0.513998D+02 -0.813184D+01 -0.136163D+02
      6   0.999070D+01 -0.788678D+01 -0.108998D+02  0.118446D+01  0.835342D-01
               256           257           258           259           260 
      1  -0.243825D+01  0.315121D+01 -0.134056D+02 -0.360946D+02 -0.121107D+02
      2   0.360400D+01 -0.196166D+02  0.901152D+01  0.980072D+01  0.138207D+02
      3  -0.116575D+01  0.164654D+02  0.439411D+01  0.262939D+02 -0.170995D+01
      4   0.115062D+02 -0.676625D+01  0.180941D+02 -0.550853D+01  0.168598D+02
      5   0.208962D+01  0.220678D+02  0.972844D+01 -0.257078D+01  0.375719D+01
      6   0.934553D+01  0.378762D+01  0.167299D+02  0.544070D+01  0.125838D+02
               261           262           263           264           265 
      1   0.104976D+02  0.352623D+02 -0.861995D+01 -0.224567D+02  0.424585D+01
      2   0.424378D+01 -0.231665D+02  0.484170D+01  0.164303D+02 -0.514795D+01
      3  -0.147414D+02 -0.120958D+02  0.377825D+01  0.602642D+01  0.902108D+00
      4   0.886636D+01 -0.162406D+02  0.107888D+02  0.104551D+02  0.504458D+01
      5   0.328905D+01 -0.324732D+02  0.899186D+01  0.283571D+02 -0.493156D+01
      6   0.355640D+01  0.588693D+01 -0.300322D+01 -0.519578D+01 -0.170071D+01
               266           267           268           269           270 
      1   0.166912D+01 -0.420880D+01 -0.281807D+02  0.665913D+01  0.207859D+02
      2  -0.443216D+00  0.496320D+01  0.227028D+02 -0.466624D+01 -0.229606D+02
      3  -0.122591D+01 -0.754399D+00  0.547790D+01 -0.199289D+01  0.217471D+01
      4  -0.572776D+01 -0.387294D+01  0.152767D+02 -0.132702D+02 -0.155016D+02
      5  -0.409740D+01  0.448056D+01  0.402402D+02 -0.133981D+02 -0.470208D+02
      6   0.203833D+01  0.260184D+01 -0.717088D+01  0.555877D+01  0.965761D+01
               271           272           273           274           275 
      1   0.412249D+00  0.714638D+01  0.323773D+01  0.769302D+01 -0.167210D+02
      2   0.159659D+01 -0.656929D+01  0.269885D+00 -0.452095D+01  0.340513D+02
      3  -0.200884D+01 -0.577091D+00 -0.350762D+01 -0.317207D+01 -0.173303D+02
      4   0.361411D+01  0.459972D+00  0.622977D+00  0.592533D+01  0.281359D+02
      5   0.181640D+01  0.263448D+01  0.771409D+00  0.482041D+01 -0.524276D+01
      6   0.159445D+01 -0.197364D+01 -0.131644D+01  0.632700D+00  0.138740D+02
               276           277           278           279           280 
      1  -0.301648D+00 -0.160788D+01  0.485990D+01 -0.207897D+01  0.638597D+02
      2  -0.629585D+01  0.226982D+01 -0.105077D+02  0.462565D+01 -0.451197D+02
      3   0.659750D+01 -0.661939D+00  0.564778D+01 -0.254668D+01 -0.187400D+02
      4  -0.212971D+01 -0.215029D+01 -0.103103D+02  0.861073D+00  0.260152D+02
      5   0.763279D+01 -0.166647D+01  0.221112D+01 -0.785233D+01  0.611481D+02
      6   0.378568D+01 -0.148564D+01 -0.214768D+01 -0.313955D+01  0.117412D+02
               281           282           283           284           285 
      1   0.641308D+01  0.213650D+02  0.124602D+01  0.504953D+01  0.165799D+01
      2  -0.339247D+01 -0.219058D+02  0.101793D+01 -0.777736D+00 -0.209653D+00
      3  -0.302061D+01  0.540759D+00 -0.226395D+01 -0.427179D+01 -0.144834D+01
      4   0.149531D+02  0.130833D+02  0.114396D+02  0.587331D+01  0.423360D+01
      5   0.117015D+02  0.379518D+02  0.296465D+01  0.554921D+01  0.987134D+00
      6   0.876873D+01  0.919769D+01  0.607916D+01  0.279751D+01  0.338341D+01
               286           287           288           289           290 
      1   0.166749D+02  0.202192D+01  0.777959D+01 -0.139185D+02  0.486954D+01
      2  -0.176538D+02 -0.269439D+01 -0.154031D+02 -0.172455D+01 -0.279816D+01
      3   0.978974D+00  0.672473D+00  0.762355D+01  0.156430D+02 -0.207139D+01
      4   0.927696D+01  0.440008D+01  0.617621D+01 -0.309835D+01 -0.271455D+01
      5   0.312728D+02  0.581664D+01  0.259319D+02  0.250994D+00 -0.110819D+01
      6   0.632696D+01  0.395923D+01  0.659757D+01  0.332775D+01 -0.570833D+01
               291           292           293           294           295 
      1   0.256024D+02 -0.111450D+01 -0.575777D+01  0.198148D+01  0.178748D+02
      2   0.238660D+01 -0.210626D+00  0.245845D+01  0.231320D+01 -0.147557D+01
      3  -0.279890D+02  0.132513D+01  0.329933D+01 -0.429468D+01 -0.163992D+02
      4   0.275742D+01 -0.120642D+01 -0.425443D+00  0.471971D+00  0.452718D+01
      5  -0.308206D+01 -0.115256D+01 -0.161659D+01 -0.357651D+01  0.464287D+01
      6  -0.714412D+01 -0.324200D+01  0.420089D+00  0.435217D+01 -0.268535D+01
               296           297 
      1  -0.366080D+01 -0.340771D+02
      2   0.333417D+00 -0.118161D+02
      3   0.332738D+01  0.458932D+02
      4   0.190925D+01 -0.224589D+01
      5   0.214683D+01  0.164043D+02
      6   0.666874D+01  0.113693D+02
 Leave Link  716 at Wed Sep  8 14:24:40 2021, MaxMem=  6442450944 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.208313D+03  0.621683D+01  0.772439D+01
      2   0.621683D+01  0.151107D+03 -0.873029D+01
      3   0.772439D+01 -0.873029D+01  0.136333D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.652772D+01  0.421703D+01 -0.315481D+00
      2  -0.102900D+02  0.894915D+01 -0.490493D+02
      3  -0.345083D+02  0.483959D+02 -0.167246D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.186681D+03  0.210569D+02 -0.419949D+02
      2   0.812996D+02 -0.223709D+02 -0.248377D+01
      3   0.105381D+03  0.131398D+01  0.444786D+02
      4   0.295865D+02 -0.104977D+03  0.255987D+02
      5   0.153669D+02  0.283987D+02 -0.935924D+02
      6   0.575506D+01  0.223881D+02  0.261939D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.896470D+01  0.134466D+01  0.234266D+01  0.117269D+02 -0.472449D+00
      2   0.134466D+01 -0.176196D+01  0.109385D-02 -0.472449D+00  0.221697D+01
      3   0.234266D+01  0.109385D-02  0.630227D+00  0.135798D+01  0.851720D+00
                 6             7             8             9            10 
      1   0.135798D+01 -0.520847D+00 -0.174497D+01 -0.287717D-01 -0.286160D+02
      2   0.851720D+00 -0.174497D+01  0.788456D+00  0.855924D+00 -0.352851D-02
      3  -0.714412D+00 -0.287717D-01  0.855924D+00 -0.416765D+01 -0.322169D+01
                11            12            13            14            15 
      1  -0.352851D-02 -0.322169D+01  0.112293D+00 -0.117907D+01 -0.180823D+01
      2  -0.241988D+01  0.800515D+00 -0.117907D+01 -0.170378D+01 -0.350170D+00
      3   0.800515D+00 -0.180346D+01 -0.180823D+01 -0.350170D+00 -0.119350D+01
                16            17            18            19            20 
      1  -0.627693D+01 -0.176911D+01 -0.447661D+01 -0.668110D+01 -0.536943D+00
      2  -0.176911D+01 -0.763478D+00 -0.680732D+00 -0.536943D+00  0.681120D+00
      3  -0.447661D+01 -0.680732D+00 -0.295218D+01 -0.255543D+01 -0.146580D+01
                21            22            23            24            25 
      1  -0.255543D+01  0.913185D+01  0.693098D+00  0.268721D+01 -0.953412D+01
      2  -0.146580D+01  0.693098D+00  0.304097D+01  0.113314D+01 -0.969318D+00
      3   0.207076D+01  0.268721D+01  0.113314D+01  0.757717D+00 -0.453091D+00
                26            27            28            29            30 
      1  -0.969318D+00 -0.453091D+00  0.247628D+02  0.163004D+01  0.458915D+01
      2   0.194337D+01  0.810886D+00  0.163004D+01  0.227568D+01 -0.190431D+00
      3   0.810886D+00 -0.175512D+01  0.458915D+01 -0.190431D+00  0.246021D+01
                31            32            33            34            35 
      1   0.786918D+00  0.983289D+00  0.183151D+01  0.419932D+01  0.219743D+01
      2   0.983289D+00 -0.576018D+00  0.675179D+00  0.219743D+01  0.197782D+01
      3   0.183151D+01  0.675179D+00  0.198880D+01  0.512303D+01  0.896423D+00
                36            37            38            39            40 
      1   0.512303D+01 -0.103385D+02 -0.132116D+01 -0.292037D+01 -0.125442D+02
      2   0.896423D+00 -0.132116D+01  0.352012D+01 -0.130040D-02 -0.735812D+00
      3   0.224151D+01 -0.292037D+01 -0.130040D-02 -0.844349D+00 -0.137925D+01
                41            42            43            44            45 
      1  -0.735812D+00 -0.137925D+01  0.398635D+00  0.182152D+01  0.361294D+00
      2  -0.173744D+01 -0.134857D+01  0.182152D+01 -0.857080D+00 -0.119825D+01
      3  -0.134857D+01  0.556646D-01  0.361294D+00 -0.119825D+01  0.423524D+01
                46            47            48            49            50 
      1   0.753538D+01  0.479034D+00  0.280541D+01 -0.809733D+01  0.583366D+00
      2   0.479034D+00 -0.179767D+01  0.158125D+01  0.583366D+00 -0.229853D+01
      3   0.280541D+01  0.158125D+01 -0.168717D+01 -0.251473D+01 -0.114637D+01
                51            52            53            54            55 
      1  -0.251473D+01  0.111735D+02  0.457169D+00 -0.202778D+00  0.158420D+02
      2  -0.114637D+01  0.457169D+00 -0.356771D+01 -0.123653D+01 -0.165735D+01
      3  -0.983956D+00 -0.202778D+00 -0.123653D+01  0.141329D+01 -0.124890D+01
                56            57            58            59            60 
      1  -0.165735D+01 -0.124890D+01 -0.431980D+01  0.353047D+01  0.135462D+01
      2   0.188012D+01  0.835786D+00  0.353047D+01  0.460807D+01  0.204803D+01
      3   0.835786D+00  0.134109D+01  0.135462D+01  0.204803D+01 -0.266622D+01
                61            62            63            64            65 
      1  -0.462290D+01  0.155997D+01  0.346865D+01 -0.150422D+01  0.295143D+01
      2   0.155997D+01  0.878993D+00 -0.209726D+01  0.295143D+01 -0.109116D+01
      3   0.346865D+01 -0.209726D+01  0.452965D+01  0.538955D+01 -0.735277D+00
                66            67            68            69            70 
      1   0.538955D+01  0.741905D+01 -0.124719D+01 -0.100921D+01  0.131734D+02
      2  -0.735277D+00 -0.124719D+01 -0.441988D+01 -0.712840D+00 -0.168946D+01
      3   0.421307D+00 -0.100921D+01 -0.712840D+00  0.328548D+01  0.422506D+00
                71            72            73            74            75 
      1  -0.168946D+01  0.422506D+00  0.126598D-01 -0.301786D+01 -0.449588D+01
      2  -0.933165D+00  0.335113D+01 -0.301786D+01  0.174680D+01  0.118079D+01
      3   0.335113D+01 -0.141371D+01 -0.449588D+01  0.118079D+01  0.223861D+00
                76            77            78            79            80 
      1  -0.377682D+01  0.971413D+00  0.799431D+00 -0.614470D+01  0.157154D+01
      2   0.971413D+00  0.285665D+01  0.860682D+00  0.157154D+01  0.114399D+01
      3   0.799431D+00  0.860682D+00 -0.342705D+01  0.731496D+00 -0.419198D+01
                81            82            83            84            85 
      1   0.731496D+00  0.354347D-01 -0.194369D+01 -0.486871D+01 -0.293391D+01
      2  -0.419198D+01 -0.194369D+01  0.132077D+01  0.794864D+00  0.170181D+01
      3   0.262002D+01 -0.486871D+01  0.794864D+00  0.795861D+00  0.171491D+01
                86            87            88            89            90 
      1   0.170181D+01  0.171491D+01 -0.587557D+01  0.143721D+01  0.105809D+00
      2   0.599937D+01  0.338471D+00  0.143721D+01  0.122777D+01 -0.281681D+01
      3   0.338471D+00 -0.295739D+01  0.105809D+00 -0.281681D+01  0.762479D+00
                91            92            93            94            95 
      1  -0.355939D+01  0.805794D+00  0.317909D+00 -0.111373D+01 -0.223392D+01
      2   0.805794D+00 -0.116292D+01 -0.386196D+00 -0.223392D+01  0.167867D+01
      3   0.317909D+00 -0.386196D+00 -0.203071D+01 -0.186380D+01 -0.398716D+01
                96            97            98            99           100 
      1  -0.186380D+01  0.456066D+01 -0.132465D+01 -0.483505D+01 -0.252257D+01
      2  -0.398716D+01 -0.132465D+01 -0.319286D+01 -0.561336D+00 -0.209287D+01
      3  -0.207589D+01 -0.483505D+01 -0.561336D+00 -0.862534D+00 -0.635376D-01
               101           102           103           104           105 
      1  -0.209287D+01 -0.635376D-01 -0.452393D+01 -0.212014D+01  0.215123D+01
      2  -0.126586D+01  0.232303D+00 -0.212014D+01 -0.246233D+01  0.234288D+01
      3   0.232303D+00  0.127865D+01  0.215123D+01  0.234288D+01 -0.151589D+01
               106           107           108           109           110 
      1   0.366207D-02  0.912118D+00  0.153625D+01  0.554611D+01  0.366232D+01
      2   0.912118D+00  0.237353D+01 -0.562685D+00  0.366232D+01  0.236817D+01
      3   0.153625D+01 -0.562685D+00 -0.145900D+01 -0.153602D+01 -0.409428D+00
               111           112           113           114           115 
      1  -0.153602D+01  0.884837D+01  0.377219D+01 -0.185528D+01 -0.379025D+01
      2  -0.409428D+00  0.377219D+01  0.797051D+01 -0.161030D+01 -0.106086D+01
      3   0.705596D+00 -0.185528D+01 -0.161030D+01  0.316596D+01  0.180763D+01
               116           117           118           119           120 
      1  -0.106086D+01  0.180763D+01 -0.837346D+00 -0.975943D+00  0.207425D+01
      2  -0.227513D+01  0.224599D+01 -0.975943D+00  0.552325D-01 -0.606335D+00
      3   0.224599D+01 -0.232498D+01  0.207425D+01 -0.606335D+00 -0.273760D+01
               121           122           123           124           125 
      1  -0.465997D+01  0.197334D+01  0.446697D+00  0.273395D+01 -0.876477D+00
      2   0.197334D+01 -0.490694D+01 -0.155596D+01 -0.876477D+00  0.111669D+00
      3   0.446697D+00 -0.155596D+01 -0.128437D+01 -0.291454D+01 -0.461418D+00
               126           127           128           129           130 
      1  -0.291454D+01 -0.172328D+01  0.138413D+01 -0.120295D+01  0.143915D+01
      2  -0.461418D+00  0.138413D+01 -0.100887D+01  0.935683D+00 -0.152316D+01
      3   0.310990D+01 -0.120295D+01  0.935683D+00 -0.123459D+01  0.110193D+01
               131           132           133           134           135 
      1  -0.152316D+01  0.110193D+01 -0.178049D+01  0.153434D+01 -0.120923D+01
      2   0.404865D+01 -0.273358D+01  0.153434D+01 -0.272861D+01  0.212168D+01
      3  -0.273358D+01  0.284180D+01 -0.120923D+01  0.212168D+01 -0.237059D+01
               136           137           138           139           140 
      1   0.296092D+01  0.190718D+01 -0.391467D+00  0.290288D+01  0.257974D+01
      2   0.190718D+01  0.202970D+01 -0.329400D+00  0.257974D+01  0.436650D+01
      3  -0.391467D+00 -0.329400D+00  0.545894D+00 -0.937902D+00 -0.143244D+01
               141           142           143           144           145 
      1  -0.937902D+00 -0.766599D+00 -0.752282D+00  0.412347D+00  0.182034D+01
      2  -0.143244D+01 -0.752282D+00 -0.188727D+01  0.756499D+00 -0.143491D+01
      3   0.125015D+01  0.412347D+00  0.756499D+00 -0.681778D+00  0.141361D+01
               146           147           148           149           150 
      1  -0.143491D+01  0.141361D+01 -0.145447D+01  0.168665D+01 -0.119552D+01
      2   0.137396D+01 -0.112671D+01  0.168665D+01 -0.511594D+01  0.293385D+01
      3  -0.112671D+01  0.131792D+01 -0.119552D+01  0.293385D+01 -0.270302D+01
               151           152           153           154           155 
      1   0.142545D+01 -0.157802D+01  0.112894D+01 -0.304941D+01 -0.235490D+01
      2  -0.157802D+01  0.325514D+01 -0.211579D+01 -0.235490D+01 -0.279916D+01
      3   0.112894D+01 -0.211579D+01  0.193805D+01  0.506615D+00  0.357662D+00
               156           157           158           159           160 
      1   0.506615D+00 -0.299532D+01 -0.310197D+01  0.984328D+00  0.450420D+00
      2   0.357662D+00 -0.310197D+01 -0.580273D+01  0.141317D+01  0.652858D+00
      3  -0.325683D+00  0.984328D+00  0.141317D+01 -0.107497D+01 -0.331368D+00
               161           162           163           164           165 
      1   0.652858D+00 -0.331368D+00 -0.254455D+01 -0.161082D+01 -0.304376D+00
      2   0.199494D+01 -0.699190D+00 -0.161082D+01 -0.152172D+01 -0.673363D+00
      3  -0.699190D+00  0.476487D+00 -0.304376D+00 -0.673363D+00 -0.745836D+00
               166           167           168           169           170 
      1  -0.408063D+01 -0.256699D+01 -0.129435D+01  0.156415D+01 -0.581409D+00
      2  -0.256699D+01 -0.675861D+01 -0.244123D+01 -0.581409D+00 -0.101939D+01
      3  -0.129435D+01 -0.244123D+01 -0.173424D+01 -0.780468D+00 -0.107419D+01
               171           172           173           174           175 
      1  -0.780468D+00 -0.122481D+01  0.697724D+00 -0.110474D+01  0.352604D+01
      2  -0.107419D+01  0.697724D+00 -0.397797D+00  0.232670D-01 -0.904892D+00
      3  -0.135874D+01 -0.110474D+01  0.232670D-01 -0.930711D+00  0.834684D+00
               176           177           178           179           180 
      1  -0.904892D+00  0.834684D+00 -0.216287D+01  0.253932D+00 -0.229552D+01
      2   0.594496D+00 -0.139468D+01  0.253932D+00 -0.108878D+01  0.117388D+01
      3  -0.139468D+01  0.277275D+01 -0.229552D+01  0.117388D+01 -0.795347D+01
               181           182           183           184           185 
      1  -0.106122D+02 -0.106688D+01 -0.355666D+01 -0.193180D+01 -0.152012D+01
      2  -0.106688D+01 -0.117042D+01 -0.171241D+00 -0.152012D+01  0.252985D-01
      3  -0.355666D+01 -0.171241D+00 -0.222766D+01 -0.812309D-01 -0.537314D+00
               186           187           188           189           190 
      1  -0.812309D-01 -0.520673D+01  0.479406D-01 -0.257343D+01 -0.224910D+00
      2  -0.537314D+00  0.479406D-01 -0.623298D+00 -0.706560D+00  0.960856D+00
      3  -0.772341D+00 -0.257343D+01 -0.706560D+00 -0.213699D+01 -0.412982D+00
               191           192           193           194           195 
      1   0.960856D+00 -0.412982D+00  0.104198D+01 -0.602180D+00  0.204928D+00
      2  -0.290866D+00 -0.145943D-01 -0.602180D+00  0.293781D+01 -0.215970D+01
      3  -0.145943D-01 -0.211077D+00  0.204928D+00 -0.215970D+01  0.240592D+01
               196           197           198           199           200 
      1  -0.112361D+01  0.561646D+00 -0.495009D+00  0.583640D+01  0.278264D+00
      2   0.561646D+00 -0.357114D+01  0.311587D+01  0.278264D+00  0.193017D+01
      3  -0.495009D+00  0.311587D+01 -0.518465D+01  0.150717D+01  0.476538D+00
               201           202           203           204           205 
      1   0.150717D+01  0.687850D+00  0.682825D+00  0.243220D+00  0.196759D+01
      2   0.476538D+00  0.682825D+00  0.932045D+00  0.390011D+00  0.282882D+00
      3   0.142120D+01  0.243220D+00  0.390011D+00  0.750512D+00  0.929804D+00
               206           207           208           209           210 
      1   0.282882D+00  0.929804D+00 -0.590590D+01  0.341585D+01  0.247324D+01
      2   0.107766D+01  0.106555D+01  0.341585D+01 -0.313104D+01 -0.124528D+01
      3   0.106555D+01  0.127521D+01  0.247324D+01 -0.124528D+01 -0.177916D+01
               211           212           213           214           215 
      1   0.246147D+01 -0.251114D+01 -0.104760D+01  0.342629D+01 -0.197374D+01
      2  -0.251114D+01  0.253051D+01  0.112063D+01 -0.197374D+01  0.213944D+01
      3  -0.104760D+01  0.112063D+01  0.117531D+01 -0.217142D+01  0.188303D+01
               216           217           218           219           220 
      1  -0.217142D+01  0.727592D+01  0.347104D+00  0.830565D+00  0.273808D+00
      2   0.188303D+01  0.347104D+00  0.789381D+00 -0.141192D+00  0.289583D+00
      3   0.193481D+01  0.830565D+00 -0.141192D+00  0.256960D+01  0.999466D-01
               221           222           223           224           225 
      1   0.289583D+00  0.999466D-01  0.312326D+00 -0.474198D-01  0.167840D+01
      2  -0.374106D+00  0.404505D+00 -0.474198D-01  0.547551D+00  0.163205D+00
      3   0.404505D+00  0.706368D+00  0.167840D+01  0.163205D+00  0.243390D+01
               226           227           228           229           230 
      1  -0.110072D+01 -0.123842D+01  0.662200D+00 -0.202250D+01 -0.204235D+01
      2  -0.123842D+01 -0.140541D+01  0.761356D-01 -0.204235D+01 -0.819885D+01
      3   0.662200D+00  0.761356D-01 -0.411763D+00  0.423866D+00  0.856300D+00
               231           232           233           234           235 
      1   0.423866D+00  0.206481D+00 -0.122862D+00 -0.235532D+00 -0.669187D+01
      2   0.856300D+00 -0.122862D+00 -0.444642D+00 -0.609865D+00  0.897946D+00
      3  -0.131592D+01 -0.235532D+00 -0.609865D+00 -0.972960D-01  0.413037D+01
               236           237           238           239           240 
      1   0.897946D+00  0.413037D+01  0.245318D+01 -0.136765D+01 -0.151263D+01
      2  -0.125429D+01 -0.446012D+00 -0.136765D+01  0.507071D+00  0.792886D+00
      3  -0.446012D+00 -0.324260D+01 -0.151263D+01  0.792886D+00  0.188325D+01
               241           242           243           244           245 
      1   0.384501D+01 -0.568196D+00 -0.329771D+01 -0.195905D+00 -0.157706D+01
      2  -0.568196D+00  0.592461D+00  0.781019D+00 -0.157706D+01  0.823194D+00
      3  -0.329771D+01  0.781019D+00  0.369046D+01  0.384078D+00 -0.375249D+00
               246           247           248           249           250 
      1   0.384078D+00 -0.274380D+01  0.139449D+01 -0.734140D+00  0.707567D+00
      2  -0.375249D+00  0.139449D+01 -0.436501D+01  0.189468D+01 -0.533393D+00
      3   0.729476D+00 -0.734140D+00  0.189468D+01 -0.195008D+01  0.133548D+01
               251           252           253           254           255 
      1  -0.533393D+00  0.133548D+01 -0.674198D+01 -0.142485D+01 -0.566084D+01
      2   0.200959D+01 -0.137938D+01 -0.142485D+01  0.607541D+00 -0.507067D+00
      3  -0.137938D+01  0.241968D+01 -0.566084D+01 -0.507067D+00  0.124013D+01
               256           257           258           259           260 
      1   0.248670D+01  0.219341D+01  0.112255D+01 -0.301593D+01  0.508870D+00
      2   0.219341D+01 -0.138285D+01  0.357336D+01  0.508870D+00  0.339841D+01
      3   0.112255D+01  0.357336D+01  0.249172D+01  0.261568D+01  0.111873D+01
               261           262           263           264           265 
      1   0.261568D+01  0.427567D+01 -0.141237D+01 -0.301509D+01  0.478693D+00
      2   0.111873D+01 -0.141237D+01  0.115539D+01  0.893254D+00  0.487851D+00
      3  -0.760864D+00 -0.301509D+01  0.893254D+00  0.285311D+01 -0.476384D+00
               266           267           268           269           270 
      1   0.487851D+00 -0.476384D+00 -0.416763D+01  0.133459D+01  0.410269D+01
      2  -0.709913D+00 -0.429960D+00  0.133459D+01 -0.152831D+01 -0.149961D+01
      3  -0.429960D+00  0.375487D+00  0.410269D+01 -0.149961D+01 -0.519112D+01
               271           272           273           274           275 
      1   0.238147D+00  0.768367D+00  0.106565D+00  0.150678D+01  0.776776D-01
      2   0.768367D+00 -0.697476D+00 -0.163390D-01  0.776776D-01  0.575218D+01
      3   0.106565D+00 -0.163390D-01 -0.403440D+00  0.248262D+00 -0.462516D+00
               276           277           278           279           280 
      1   0.248262D+00 -0.848476D+00 -0.153796D+00 -0.531579D+00  0.107598D+02
      2  -0.462516D+00 -0.153796D+00 -0.200257D+01  0.292938D+00  0.197362D+01
      3   0.132824D+01 -0.531579D+00  0.292938D+00 -0.120293D+01  0.490794D+01
               281           282           283           284           285 
      1   0.197362D+01  0.490794D+01  0.445063D+00  0.104804D+01  0.224415D+00
      2   0.154846D+01  0.123974D+01  0.104804D+01  0.592714D+00  0.342869D+00
      3   0.123974D+01  0.343488D+01  0.224415D+00  0.342869D+00 -0.120371D+00
               286           287           288           289           290 
      1   0.358396D+01  0.695032D+00  0.264957D+01 -0.179158D+01  0.165245D+00
      2   0.695032D+00  0.305145D+00  0.622112D+00  0.165245D+00 -0.929287D+00
      3   0.264957D+01  0.622112D+00  0.274842D+01  0.211836D+01 -0.587665D+00
               291           292           293           294           295 
      1   0.211836D+01 -0.530806D+00 -0.520206D+00 -0.121476D+00  0.210518D+01
      2  -0.587665D+00 -0.520206D+00  0.154436D+00  0.330429D+00 -0.830841D-01
      3  -0.342396D+01 -0.121476D+00  0.330429D+00 -0.745506D+00 -0.157748D+01
               296           297 
      1  -0.830841D-01 -0.157748D+01
      2   0.717506D+00  0.636708D+00
      3   0.636708D+00  0.604451D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.802357D+00  0.333561D+01 -0.505246D+00  0.520943D+01  0.852191D+00
      2   0.464853D+01 -0.419580D+01  0.429376D+01 -0.109783D+01 -0.562664D+01
      3  -0.131817D+02 -0.725589D+01  0.255915D+01 -0.118656D+01 -0.238752D+01
                 6             7             8             9            10 
      1  -0.177101D+01  0.526396D+01  0.254733D+01  0.105891D+01 -0.405498D+01
      2   0.212263D+01 -0.111038D+02 -0.345958D+01  0.777076D+00 -0.707819D+01
      3   0.140829D+01  0.560545D+01  0.107919D+01 -0.489260D+00  0.186487D+02
                11            12            13            14            15 
      1  -0.238540D+01  0.625084D+00 -0.907675D+01  0.467110D+01 -0.180743D+01
      2   0.137532D+01 -0.232236D+01  0.699450D+01  0.422748D+01 -0.181477D+01
      3   0.141200D+01  0.142293D+01  0.192159D+02  0.228071D+01  0.159495D+01
                16            17            18            19            20 
      1   0.278509D+01  0.659599D+01 -0.534189D+01  0.824115D-01 -0.822269D+00
      2  -0.143504D+02 -0.172151D+01 -0.205432D-02  0.470128D+01 -0.572407D+00
      3  -0.191332D+01  0.169367D+01  0.101412D+01  0.624665D+01 -0.410375D+01
                21            22            23            24            25 
      1   0.188382D+00 -0.187933D+01 -0.197035D+01 -0.271651D+01 -0.654650D+01
      2   0.126379D+01 -0.607981D+01  0.216312D+01 -0.977473D+00 -0.104362D+02
      3   0.270349D+01 -0.117211D+01  0.856855D+00 -0.138430D+01  0.959073D+01
                26            27            28            29            30 
      1   0.176176D+01 -0.420840D+01  0.201709D+01 -0.455205D+01  0.346758D+01
      2   0.172935D+01 -0.283389D+01  0.498815D+01  0.201301D+01  0.508860D-01
      3  -0.182253D+01  0.480893D+01 -0.142918D+02  0.479409D+00 -0.410805D+01
                31            32            33            34            35 
      1  -0.663490D+01  0.400245D+01 -0.140093D+01  0.751168D+01  0.694689D+01
      2   0.540352D+01  0.460754D+01  0.134575D+01 -0.941844D+01 -0.918515D+00
      3   0.209553D+02  0.369883D+01  0.169160D+01 -0.857168D+01  0.110787D+01
                36            37            38            39            40 
      1  -0.190609D+01 -0.343063D+01  0.106779D+01 -0.123237D+01  0.806865D+00
      2  -0.488164D+01  0.718043D+00 -0.404719D+01  0.384858D+01 -0.118274D+01
      3  -0.606725D+01  0.468277D+01 -0.432785D+01  0.531247D+01  0.129713D+02
                41            42            43            44            45 
      1   0.573759D+00 -0.180810D+01  0.368771D+01  0.121176D+01  0.451843D+01
      2  -0.438075D+01  0.623134D-02 -0.984582D+01 -0.334438D+01  0.896164D+00
      3  -0.344848D+00  0.367885D+01  0.498132D+01  0.597509D+00  0.609506D+00
                46            47            48            49            50 
      1   0.478780D+01  0.132760D+01 -0.172109D+01 -0.479158D+01 -0.652667D+00
      2   0.638781D+01 -0.121649D+01  0.153248D+01 -0.770749D+01  0.224150D+01
      3  -0.670302D+01 -0.369511D+01 -0.186496D+01  0.930547D+01 -0.318778D+00
                51            52            53            54            55 
      1  -0.345578D+01 -0.646040D+01  0.240227D+01 -0.164211D+01  0.255855D+01
      2  -0.269747D+00 -0.663078D+01  0.296542D+01 -0.297637D+01  0.213127D+02
      3   0.147279D+01 -0.587277D+01 -0.353912D+01  0.137218D+01 -0.154272D+02
                56            57            58            59            60 
      1  -0.401598D+00 -0.130123D+01 -0.354219D+01 -0.640098D+01 -0.659271D+01
      2  -0.458047D+01 -0.302869D+01 -0.951237D+01 -0.826051D+00  0.109219D+02
      3   0.466828D+01  0.329334D+01  0.226129D+02  0.133023D+02  0.624416D+01
                61            62            63            64            65 
      1  -0.165277D+01 -0.117202D+01  0.693442D+01 -0.229783D+01 -0.117196D+00
      2  -0.255359D+02  0.104225D+02 -0.105822D+02 -0.317518D+02  0.445614D+01
      3   0.829323D+01  0.241715D+01 -0.110066D+02  0.182916D+02 -0.827806D+01
                66            67            68            69            70 
      1   0.414321D+00  0.425317D+01  0.509711D+00 -0.394577D+01 -0.247357D+00
      2   0.279445D+01  0.108756D+02  0.730708D+00 -0.136332D+02  0.462602D+01
      3  -0.268202D+01 -0.357037D+01 -0.187363D+02 -0.389931D+01 -0.117571D+02
                71            72            73            74            75 
      1   0.343595D+01 -0.514067D+00  0.878623D+01 -0.259329D+01 -0.871118D+00
      2  -0.150031D+02  0.641679D+01  0.194759D+02 -0.418613D+01  0.855859D+00
      3  -0.445545D+01  0.153973D+02 -0.163274D+02 -0.291637D+01 -0.420771D+01
                76            77            78            79            80 
      1  -0.185957D+01 -0.246589D+01  0.595775D+01 -0.293033D+01  0.124005D+02
      2  -0.373527D+01 -0.308673D+01  0.133365D+02 -0.529245D+01  0.163880D+02
      3  -0.212333D+01  0.151234D+02  0.545408D+01 -0.463205D+01  0.792157D+01
                81            82            83            84            85 
      1  -0.584012D+01 -0.526226D+01  0.276807D+01  0.228013D+01  0.494948D+01
      2  -0.101820D+02  0.245248D+02 -0.230549D+01  0.764780D+01 -0.501511D+01
      3  -0.165060D+02 -0.790716D+01  0.480605D+01  0.795390D+01  0.109100D+02
                86            87            88            89            90 
      1   0.110287D+02 -0.464381D+01  0.308247D+01  0.148946D+01 -0.414919D+01
      2  -0.305982D+01  0.109918D+02  0.607930D+01  0.107554D+02 -0.415692D+01
      3   0.247197D+02  0.640464D+00  0.113639D+02  0.473629D+01 -0.127632D+02
                91            92            93            94            95 
      1  -0.158434D+01 -0.192494D+01 -0.292177D+00 -0.525664D+01  0.174549D+01
      2   0.108532D+02 -0.898435D+00 -0.659302D+00 -0.366636D+01 -0.101151D+02
      3  -0.123226D+01 -0.130563D+01  0.101365D+01  0.138625D+02 -0.595499D+01
                96            97            98            99           100 
      1  -0.827770D+01  0.135877D+01  0.172970D+00  0.857321D-01  0.200377D+01
      2  -0.376021D+01 -0.284532D+02 -0.164821D+01  0.689260D+00 -0.214391D+02
      3   0.134972D+02  0.343020D+01  0.111035D+02  0.297377D+01  0.506018D+01
               101           102           103           104           105 
      1   0.603095D+01  0.244816D+01  0.355144D+01  0.201571D+01  0.529744D+01
      2   0.272863D+01  0.751534D+01  0.912970D+01  0.810523D+01 -0.745328D+01
      3   0.116809D+01 -0.127844D+01  0.671017D+01  0.126496D+02 -0.976842D+01
               106           107           108           109           110 
      1  -0.925093D+00  0.466403D+01  0.850145D-01 -0.138802D+01 -0.294872D+01
      2  -0.176876D+01 -0.285525D+01  0.740065D+01  0.852613D+00 -0.127015D+01
      3  -0.906427D+00 -0.170078D+02  0.792539D+00 -0.102046D+02 -0.114582D+02
               111           112           113           114           115 
      1  -0.309401D+01 -0.173499D+00 -0.541884D+01 -0.724087D+01 -0.829668D+00
      2   0.562586D+01 -0.912067D+01 -0.745714D+01  0.133327D+02  0.640385D+01
      3   0.138586D+01 -0.513720D+01 -0.330279D+02  0.550978D+01 -0.763019D+00
               116           117           118           119           120 
      1   0.321496D+01  0.148889D+01  0.285320D+01 -0.938171D+00 -0.110381D+01
      2   0.905071D+01 -0.125398D+02  0.941299D+01 -0.351558D+01 -0.692104D+01
      3   0.117664D+02 -0.838748D+01  0.444133D+01 -0.225014D+01  0.320149D+00
               121           122           123           124           125 
      1   0.270692D+01  0.358801D+01 -0.698983D+01 -0.218081D+01  0.165328D+01
      2   0.206064D+01 -0.484053D+01 -0.601080D+01 -0.949279D+01 -0.237850D+01
      3  -0.369915D-01  0.193410D+02  0.383085D+01  0.262539D+01  0.157216D+01
               126           127           128           129           130 
      1   0.285945D+01 -0.841018D+00  0.934169D+00  0.101235D+01  0.128777D+01
      2   0.880972D+01 -0.296143D+01  0.104853D+01 -0.750171D-01  0.217549D+01
      3   0.491922D+01 -0.289380D+01  0.552098D+00 -0.493172D+00  0.238089D+01
               131           132           133           134           135 
      1  -0.328541D+01 -0.135649D+01 -0.136327D+01  0.388227D+01 -0.180557D+00
      2   0.361965D+00 -0.176981D+01 -0.377551D+01  0.357016D+00  0.999465D+00
      3   0.147352D+01 -0.661368D+00 -0.225711D+01 -0.858899D+00  0.217913D+00
               136           137           138           139           140 
      1  -0.153221D+01 -0.239452D+01 -0.163858D+01 -0.115733D+01 -0.160403D+01
      2   0.315840D+01  0.165462D+01  0.729392D+00  0.274872D+01  0.137781D+01
      3   0.474430D+01  0.378114D+00 -0.356146D+00  0.509738D+01 -0.104597D+01
               141           142           143           144           145 
      1  -0.265854D+01 -0.212528D+00  0.179052D+01  0.545641D-01  0.164361D+01
      2   0.127125D+01 -0.912624D+00 -0.419541D+00 -0.661420D+00 -0.115939D+01
      3  -0.136746D+00  0.383667D+00  0.124385D+01  0.186792D+00 -0.426186D+01
               146           147           148           149           150 
      1  -0.494232D+00  0.270907D+01 -0.743086D+00  0.403988D+00 -0.450219D+01
      2   0.185716D+00  0.398883D+00  0.991459D+00  0.625177D+00 -0.190418D+01
      3   0.990814D+00 -0.187689D+01  0.355030D+01  0.782786D-01  0.829374D+00
               151           152           153           154           155 
      1   0.511079D+00  0.130645D+01  0.201812D+01  0.652754D+00 -0.679401D+00
      2  -0.245476D+01 -0.385978D-01  0.666737D+00  0.132142D+01  0.600938D+00
      3  -0.333879D+01  0.690784D+00 -0.116938D+01  0.612783D+01  0.566448D+00
               156           157           158           159           160 
      1  -0.193525D+01  0.176462D+01  0.159594D+01 -0.395754D+01 -0.165209D+00
      2   0.959763D+00  0.176311D+00  0.150101D+00  0.179851D+01 -0.108927D+01
      3  -0.822378D+00  0.554067D+01 -0.130034D+01 -0.591386D+00  0.168691D+00
               161           162           163           164           165 
      1   0.786492D+00  0.886010D+00  0.192946D+01  0.184112D+01 -0.167314D+00
      2   0.134312D+00 -0.617801D+00 -0.306204D+01 -0.199250D+00  0.309545D+01
      3   0.129716D+01 -0.625218D-01 -0.432510D+01 -0.516106D+01 -0.194222D+01
               166           167           168           169           170 
      1   0.246235D+01  0.870479D+01 -0.544857D+00  0.551996D+00  0.176979D+01
      2  -0.144266D+01  0.360082D+01  0.432089D+01  0.258577D+01  0.207645D+01
      3  -0.254953D+01 -0.207713D+02 -0.722458D+01 -0.322258D+01 -0.308165D+01
               171           172           173           174           175 
      1   0.489462D-01 -0.170071D+01  0.867324D+00 -0.452704D+00  0.153368D+01
      2   0.346340D+01  0.242515D+01  0.587446D+00  0.258614D+01  0.246869D+01
      3  -0.260756D+01  0.428142D+01 -0.307897D+01  0.100907D+01 -0.351510D+01
               176           177           178           179           180 
      1  -0.248033D+01  0.266958D+01 -0.164751D+01  0.528602D+01 -0.632694D+01
      2   0.311436D+01 -0.830110D+01  0.191928D+01 -0.333369D+01  0.226968D+02
      3   0.232750D+01 -0.530889D+01  0.188591D+01 -0.431992D+01  0.642331D+01
               181           182           183           184           185 
      1   0.333215D+00  0.110950D+01 -0.237960D-01  0.238218D+00  0.575222D-01
      2   0.878118D+01  0.392733D-02  0.107560D+02 -0.124299D+01  0.144803D+01
      3  -0.375025D+01 -0.809631D+01 -0.334668D+00 -0.470176D+01  0.606595D+00
               186           187           188           189           190 
      1  -0.678698D+00 -0.730732D-01  0.151364D+01  0.257077D+00  0.452538D+00
      2   0.368940D+01  0.568407D+01  0.353987D+01  0.817241D+01  0.174282D+01
      3  -0.217933D+01  0.139861D+01 -0.326482D+01 -0.322025D+01  0.506364D+01
               191           192           193           194           195 
      1   0.758860D-01  0.101672D+00 -0.155643D+00  0.305272D+01 -0.648019D+01
      2   0.254494D+00  0.113987D+01  0.211398D+00  0.801169D+01 -0.908698D+01
      3  -0.188639D+00 -0.775664D+00  0.146964D+01  0.107150D+02 -0.886542D+01
               196           197           198           199           200 
      1   0.268139D+00 -0.310218D+01  0.114339D+02 -0.252848D+01 -0.266300D+00
      2  -0.120500D+01 -0.113670D+02  0.199280D+02 -0.813104D+01 -0.194728D+01
      3  -0.127623D+01 -0.143793D+02  0.127843D+02  0.190508D+02  0.686794D+01
               201           202           203           204           205 
      1  -0.372543D+01 -0.529015D+00 -0.851553D+00 -0.222560D+01 -0.255054D+01
      2  -0.437797D+01 -0.100017D+01 -0.169061D+01 -0.222163D+01 -0.614075D+01
      3   0.564399D+01  0.686663D+01  0.422616D+01  0.256575D+01  0.568431D+01
               206           207           208           209           210 
      1  -0.432985D+00 -0.251304D+01 -0.541641D+01  0.173722D+01  0.497282D+01
      2  -0.375752D+01 -0.428431D+01 -0.979209D+01  0.499988D+01  0.915938D+01
      3   0.449420D+01  0.674100D+01  0.269469D+01 -0.916481D+01 -0.348844D+00
               211           212           213           214           215 
      1   0.271692D+01 -0.206705D+01 -0.384392D+01  0.452941D+01 -0.213137D+01
      2   0.355752D+01 -0.461000D+01 -0.554550D+01  0.731183D+01 -0.761355D+01
      3  -0.339884D+01  0.640633D+01  0.240766D+01 -0.286682D+00  0.640356D+01
               216           217           218           219           220 
      1  -0.452348D+01 -0.186501D+00  0.245858D+01  0.144144D+01  0.125602D+01
      2  -0.864294D+01 -0.205296D+02  0.349916D+00 -0.115983D+02 -0.945750D-01
      3   0.427874D+01 -0.550303D+01  0.204604D+01 -0.144220D+01  0.359367D+01
               221           222           223           224           225 
      1  -0.130177D+00 -0.229273D+00  0.133458D+01  0.202590D+01  0.166834D+01
      2  -0.234221D+01 -0.298838D+01 -0.112495D+02 -0.717152D+00 -0.124083D+02
      3  -0.186064D+01  0.123924D+01 -0.653381D+00  0.113126D+01 -0.106811D+01
               226           227           228           229           230 
      1  -0.101866D+01 -0.190138D+01 -0.528064D+00 -0.206477D+01 -0.116697D+02
      2  -0.267968D+01  0.914960D+00  0.157421D+01  0.820248D+00 -0.272732D+01
      3  -0.474171D+01 -0.541555D+01 -0.179490D+00 -0.324541D+01 -0.341116D+02
               231           232           233           234           235 
      1  -0.319433D+01 -0.175509D+00 -0.108566D+00 -0.110903D+01  0.450871D+01
      2   0.591482D+01 -0.714727D+00  0.237599D+01  0.109578D+01 -0.869756D+01
      3   0.297224D+01 -0.493338D+00 -0.205766D+01 -0.229727D+01  0.825966D+01
               236           237           238           239           240 
      1  -0.369988D+01 -0.278318D+01 -0.285605D+01  0.192912D+01  0.115005D+01
      2   0.474950D+00  0.109185D+02  0.283145D+01 -0.181412D+01 -0.724595D+01
      3  -0.845487D+01 -0.458390D+01 -0.675804D+01  0.359377D+01  0.402481D+01
               241           242           243           244           245 
      1  -0.381703D+01  0.319862D+01  0.339831D+01 -0.202246D+01  0.101296D+01
      2   0.650447D+01 -0.248192D+01 -0.129308D+02  0.141973D+01  0.244271D+00
      3  -0.516399D+01  0.407213D+01  0.559298D+01  0.531245D+01 -0.247851D+01
               246           247           248           249           250 
      1  -0.235776D+00  0.100098D+01 -0.510058D+01 -0.602721D+00 -0.663854D+00
      2   0.259683D+01  0.710116D+00  0.463568D+01 -0.480777D+01  0.166223D+01
      3   0.148273D+01  0.268509D+00  0.129824D+02 -0.538060D+01  0.109997D+01
               251           252           253           254           255 
      1   0.310633D+01 -0.438776D+00  0.372921D+01  0.353950D+01 -0.359361D+01
      2  -0.344334D+01  0.558254D+01 -0.448574D+01  0.903283D+00  0.173421D+02
      3  -0.625528D+01  0.366073D+01 -0.417435D+01 -0.666904D+01 -0.585491D+01
               256           257           258           259           260 
      1   0.414213D+01 -0.956435D+01  0.396992D+01 -0.986993D+00  0.909418D+01
      2   0.184729D+01  0.868739D+01  0.621379D+01  0.141131D+02  0.333611D+01
      3  -0.727744D+01  0.653946D+01 -0.126227D+02 -0.720517D+01 -0.114334D+02
               261           262           263           264           265 
      1   0.537446D+01 -0.260091D+01 -0.562334D+00  0.287695D+01 -0.570978D-02
      2  -0.653192D+01 -0.812547D+01  0.341737D+01  0.990973D+01 -0.154530D+01
      3  -0.211110D+01  0.107841D+01 -0.398193D+01 -0.527737D+00 -0.111622D+01
               266           267           268           269           270 
      1  -0.779743D+00 -0.128145D+00  0.379350D+01  0.606919D+00 -0.492370D+01
      2  -0.140099D+01  0.152066D+01  0.117497D+02 -0.497245D+01 -0.190691D+02
      3   0.160781D+01  0.143710D+01 -0.813343D+00  0.538657D+01  0.184471D+01
               271           272           273           274           275 
      1   0.252045D+01 -0.164884D+01  0.139983D+01 -0.921069D+00  0.131472D+02
      2   0.131089D+00 -0.105859D+01 -0.990264D+00 -0.147935D+01 -0.124018D+01
      3  -0.362926D+01  0.266457D+01 -0.685490D+00  0.397799D+01 -0.172035D+02
               276           277           278           279           280 
      1  -0.584264D+01  0.136227D+01 -0.397882D+01  0.484937D+01 -0.125384D+01
      2   0.319180D+01 -0.169819D+01  0.941576D+00 -0.281337D+01 -0.528312D+01
      3   0.225659D+01 -0.267012D+01  0.628619D+01 -0.206042D+01  0.489092D+01
               281           282           283           284           285 
      1   0.328631D+01 -0.173562D+01  0.178036D+01  0.138436D+01 -0.525929D+00
      2   0.769174D+00  0.440478D+01 -0.247355D+00 -0.101059D+01 -0.459512D+00
      3  -0.563409D+01  0.673413D+00 -0.152467D+01 -0.144426D+01 -0.203403D+00
               286           287           288           289           290 
      1  -0.167458D+01  0.103240D+01 -0.202160D+01 -0.254211D+01 -0.306210D+01
      2   0.123344D-01  0.513474D+00  0.450934D+01  0.121867D+02 -0.135328D+01
      3   0.216547D+01 -0.130766D+01  0.664560D+00 -0.342516D+01  0.175784D+01
               291           292           293           294           295 
      1   0.300259D+01 -0.187951D+01 -0.457147D+00  0.205764D+00  0.216675D+01
      2  -0.128558D+02  0.116741D+01  0.214020D+01 -0.172835D+01 -0.112439D+02
      3   0.395590D+01  0.218523D+01 -0.912114D+00 -0.664482D+00  0.312020D+01
               296           297 
      1   0.258637D+01 -0.574613D+01
      2   0.177857D+01  0.201459D+02
      3  -0.121762D+01 -0.446622D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.160194D+01  0.152919D+02 -0.519703D+01 -0.248321D+02  0.153901D+02
      2   0.556553D+01 -0.138191D+02  0.776557D+01  0.163654D+02 -0.471291D+01
      3  -0.396359D+01 -0.147288D+01 -0.256854D+01  0.846672D+01 -0.106772D+02
      4   0.122016D+02  0.466672D+01  0.600399D+01  0.158057D+02  0.215089D+00
      5  -0.888288D+01  0.776418D+01 -0.620320D+01 -0.640278D+01 -0.277475D+01
      6   0.877495D+01  0.244037D+01  0.287504D+00 -0.480876D+01  0.917873D+01
                 6             7             8             9            10 
      1  -0.134828D+02  0.892333D+01  0.383851D+01 -0.104365D+02  0.561985D+02
      2   0.662818D+01 -0.777897D+01  0.218697D+01 -0.977686D+01 -0.300334D+02
      3   0.685464D+01 -0.114436D+01 -0.602548D+01  0.202134D+02 -0.261651D+02
      4  -0.285479D+01  0.905742D+01 -0.735883D+01  0.300802D+01 -0.298580D+01
      5  -0.164862D+01  0.383699D+01  0.309247D+01 -0.136544D+01  0.501691D+01
      6  -0.648560D+01  0.602353D+01 -0.103453D+01  0.358341D+01  0.882937D+00
                11            12            13            14            15 
      1  -0.256265D+01  0.518818D+01 -0.113836D+02 -0.176078D+02  0.652051D+01
      2   0.634080D+01 -0.475716D+01  0.280172D+01  0.130748D+02 -0.112768D+02
      3  -0.377815D+01 -0.431014D+00  0.858192D+01  0.453296D+01  0.475624D+01
      4   0.678416D+01 -0.446177D+01 -0.133521D+02  0.258639D+01 -0.367196D-01
      5  -0.385188D+01  0.218533D+01  0.123987D+02 -0.968766D+00  0.221896D+01
      6   0.134162D+01 -0.116080D+01 -0.218186D+01 -0.469424D+01  0.577197D+01
                16            17            18            19            20 
      1  -0.977220D+00  0.833114D+01 -0.594472D+01  0.142121D+01 -0.155257D+02
      2  -0.175148D+01 -0.375391D+01 -0.208166D+01 -0.888047D+01  0.694839D+01
      3   0.272870D+01 -0.457724D+01  0.802638D+01  0.745926D+01  0.857729D+01
      4   0.148474D+02  0.317165D+01  0.421467D+00 -0.146446D+02 -0.708758D+01
      5   0.109039D+02  0.867767D+00  0.363629D+01  0.271688D+01 -0.355445D+01
      6   0.101861D+02  0.112542D+02  0.544395D+01 -0.587805D+01 -0.588671D+01
                21            22            23            24            25 
      1   0.124201D+02  0.171730D+02  0.227845D+01 -0.281806D+01 -0.108187D+02
      2  -0.242386D+01 -0.114431D+02 -0.225145D+01  0.345698D+01  0.116198D+02
      3  -0.999620D+01 -0.572996D+01 -0.269966D-01 -0.638925D+00 -0.801143D+00
      4  -0.129365D+01  0.691543D+01 -0.507116D+01  0.613687D+01 -0.953285D+01
      5   0.715486D+01  0.299433D+01  0.716755D+01 -0.287201D+01  0.801376D+01
      6   0.152894D+01  0.125934D+02  0.827324D+01  0.467203D+01 -0.779817D+01
                26            27            28            29            30 
      1  -0.153777D+02  0.785810D-01  0.980407D+01  0.298230D+01  0.194274D+01
      2   0.155848D+02 -0.481143D+01 -0.860996D+01 -0.369921D+01 -0.233077D+01
      3  -0.207025D+00  0.473285D+01 -0.119411D+01  0.716902D+00  0.388025D+00
      4  -0.662181D+00 -0.315601D+01 -0.151716D+01  0.596673D+01 -0.156990D+01
      5  -0.194290D+01 -0.519279D+01  0.399790D+01 -0.129476D+01  0.340903D+01
      6  -0.803968D-02 -0.429785D-01  0.715436D+01  0.215314D+01 -0.182128D+01
                31            32            33            34            35 
      1  -0.873541D+01 -0.175223D+02  0.575843D+01 -0.689298D+01  0.909194D+01
      2  -0.154044D+01  0.107192D+02 -0.120471D+02  0.129309D+01 -0.713049D+01
      3   0.102759D+02  0.680316D+01  0.628863D+01  0.559989D+01 -0.196145D+01
      4  -0.120664D+02 -0.214602D+01  0.216581D+00  0.166529D+02  0.370995D+01
      5   0.129926D+02  0.634989D+00  0.634244D+01  0.127446D+02  0.248169D+01
      6  -0.679833D+01 -0.648016D+01  0.429185D+01  0.416934D+01  0.959978D+01
                36            37            38            39            40 
      1  -0.312491D+01  0.842771D+01  0.214671D+02 -0.281619D+01 -0.154075D+02
      2  -0.947042D+00  0.240937D+01 -0.209422D+02  0.600993D+01  0.137719D+02
      3   0.407195D+01 -0.108371D+02 -0.524936D+00 -0.319374D+01  0.163562D+01
      4   0.201548D+01  0.863059D+01 -0.108675D+01  0.620149D+01  0.107945D+02
      5  -0.813379D+00 -0.754482D+01  0.876701D+01 -0.653310D+01 -0.551074D+00
      6   0.314120D+01  0.563133D+01 -0.212622D+01 -0.111427D+00 -0.773833D+01
                41            42            43            44            45 
      1   0.724779D+01 -0.112847D+02  0.672925D+01 -0.210270D+01 -0.854314D+01
      2   0.254516D+01  0.965157D+01 -0.976306D+01  0.725956D+01 -0.582240D+01
      3  -0.979295D+01  0.163316D+01  0.303381D+01 -0.515686D+01  0.143655D+02
      4   0.126792D+01 -0.433020D+01  0.455070D+01 -0.114597D+02  0.376604D+01
      5  -0.382482D+01 -0.362280D+01  0.786533D+01  0.366905D+01 -0.175669D+01
      6   0.121648D+02 -0.707347D+01  0.497025D+01  0.139168D+01 -0.144404D+01
                46            47            48            49            50 
      1  -0.134783D+01 -0.164086D+02  0.751738D+01  0.233701D+02 -0.440176D+01
      2  -0.713255D+01  0.848111D+01 -0.448680D+01 -0.179746D+02  0.313863D+01
      3   0.848039D+01  0.792745D+01 -0.303058D+01 -0.539546D+01  0.126313D+01
      4  -0.111778D+02 -0.957882D+01 -0.104509D+01  0.161026D+01 -0.587937D+01
      5  -0.339040D+01 -0.360400D+01  0.881287D+01  0.763282D+01  0.579922D+01
      6  -0.369901D+01 -0.836446D+01  0.460040D+01  0.111073D+02  0.119800D+02
                51            52            53            54            55 
      1  -0.205143D+01 -0.264872D+02 -0.217103D+02  0.927816D+00 -0.466561D+02
      2   0.408404D+01  0.161944D+02  0.235231D+02 -0.233318D+01  0.197676D+02
      3  -0.203261D+01  0.102928D+02 -0.181287D+01  0.140536D+01  0.268885D+02
      4   0.613472D+01 -0.891207D+01  0.242010D+01  0.928920D+00  0.113172D+02
      5  -0.455614D+00  0.106802D+02 -0.132839D+01 -0.340893D+01  0.169088D+02
      6   0.592232D+01 -0.349277D+01  0.578744D+01  0.782217D+00  0.142283D+01
                56            57            58            59            60 
      1   0.101032D+02  0.128607D+02  0.249273D+02 -0.392384D+01 -0.988300D+01
      2  -0.537914D+01 -0.591565D+01 -0.192968D+02 -0.376475D+01 -0.602852D+01
      3  -0.472411D+01 -0.694504D+01 -0.563049D+01  0.768859D+01  0.159115D+02
      4  -0.146283D+02 -0.572593D+01 -0.253283D+02 -0.362007D+02 -0.154787D+02
      5  -0.623893D+01 -0.907679D+01 -0.952867D+01 -0.147739D+02  0.177833D+02
      6  -0.341541D+01 -0.149380D+01 -0.106925D+02 -0.133400D+02 -0.613515D+01
                61            62            63            64            65 
      1   0.370637D+02 -0.106722D+02  0.313943D+01 -0.384372D+02 -0.220428D+02
      2  -0.104796D+02 -0.244585D+01  0.140347D+02  0.235946D+02  0.935263D+01
      3  -0.265841D+02  0.131181D+02 -0.171741D+02  0.148426D+02  0.126901D+02
      4  -0.972084D+01 -0.718000D+01  0.143168D+02 -0.233008D+02  0.102661D+02
      5  -0.200184D+02  0.143190D+02 -0.305841D+02 -0.552703D+02  0.456507D+01
      6  -0.179790D+01 -0.337471D+01  0.511666D+01  0.403714D+00  0.460497D+00
                66            67            68            69            70 
      1  -0.511038D+02 -0.414872D+02  0.985607D+01  0.493331D+01 -0.833428D+02
      2   0.249773D+02  0.246559D+02 -0.100876D+02 -0.454743D+01  0.406272D+02
      3   0.261265D+02  0.168314D+02  0.231509D+00 -0.385883D+00  0.427156D+02
      4   0.543672D+01  0.872493D+01  0.352290D+02  0.547642D+01  0.127723D+02
      5  -0.588885D+01  0.845854D+01  0.414772D+01 -0.260583D+02 -0.713302D+01
      6   0.109381D+01  0.162378D+01 -0.243166D+00  0.694541D-01 -0.268875D+01
                71            72            73            74            75 
      1   0.855353D+01 -0.136523D+02  0.880754D+01  0.245949D+02  0.363346D+02
      2  -0.565577D+01  0.956588D+01 -0.118974D+02 -0.833781D+01 -0.162674D+02
      3  -0.289776D+01  0.408638D+01  0.308985D+01 -0.162571D+02 -0.200673D+02
      4   0.948889D+01 -0.273574D+02  0.235521D+02 -0.229191D+02 -0.212630D+02
      5  -0.277316D+02  0.104679D+02  0.364133D+02 -0.129280D+02 -0.470088D+01
      6   0.143229D+01  0.209407D+01 -0.177296D+02  0.429801D+01 -0.795996D-01
                76            77            78            79            80 
      1   0.280060D+02 -0.148714D+02 -0.114115D+02  0.462049D+02 -0.193283D+02
      2  -0.123697D+02  0.185541D+02  0.725461D+01 -0.198220D+02  0.108981D+02
      3  -0.156363D+02 -0.368270D+01  0.415691D+01 -0.263829D+02  0.843022D+01
      4  -0.169383D+02 -0.161344D+02 -0.417997D+01 -0.268689D+02 -0.485706D+01
      5  -0.947737D+01 -0.426307D+01  0.277329D+02 -0.987260D+01  0.343463D+02
      6   0.333905D+01  0.510667D+01 -0.142338D+02  0.469821D+01 -0.165649D+02
                81            82            83            84            85 
      1   0.549442D+01  0.678699D+01  0.162673D+02  0.465908D+02  0.240750D+02
      2  -0.103914D+02  0.112728D+02 -0.118794D+02 -0.237924D+02 -0.202827D+02
      3   0.489703D+01 -0.180598D+02 -0.438790D+01 -0.227984D+02 -0.379228D+01
      4   0.347891D+02  0.178621D+02 -0.100267D+02 -0.506876D+01 -0.140668D+02
      5  -0.206907D+02  0.417825D+02 -0.102989D+02 -0.198156D+02 -0.204372D+02
      6   0.115284D+02 -0.300306D+01  0.233286D+01  0.290860D+01  0.305398D+01
                86            87            88            89            90 
      1  -0.988760D+01 -0.117211D+02  0.525755D+02 -0.734104D+01 -0.659043D+01
      2  -0.929699D+01  0.124737D+02 -0.278553D+02  0.920107D+01  0.382717D+01
      3   0.191846D+02 -0.752574D+00 -0.247202D+02 -0.186003D+01  0.276326D+01
      4  -0.539694D+02 -0.313795D+01 -0.973556D+01 -0.108694D+02  0.238521D+02
      5   0.439478D+00  0.268100D+02 -0.156407D+02  0.247731D+02 -0.323993D+01
      6   0.947946D+01  0.318966D+01  0.490473D+01  0.380342D+01 -0.871794D+01
                91            92            93            94            95 
      1   0.490316D+01  0.839676D+01  0.149840D+02  0.616542D+01  0.511681D+01
      2  -0.434711D+01 -0.408688D+01 -0.435127D+01  0.421366D+00  0.230116D+01
      3  -0.556054D+00 -0.430987D+01 -0.106327D+02 -0.658679D+01 -0.741797D+01
      4   0.784063D+01 -0.383981D+01 -0.959355D-01 -0.120613D+02  0.129701D+02
      5   0.116791D+02 -0.105153D+00 -0.638907D+01 -0.908407D+01 -0.249837D+02
      6   0.986420D+00 -0.483675D+01 -0.593777D+00 -0.125375D+02  0.491403D+01
                96            97            98            99           100 
      1   0.271681D+01  0.314317D+02  0.528450D+00 -0.104070D+02 -0.855298D+01
      2   0.369528D+01 -0.129541D+02 -0.376231D-01  0.555273D+01  0.178442D+01
      3  -0.641209D+01 -0.184776D+02 -0.490826D+00  0.485430D+01  0.676857D+01
      4  -0.244009D+02 -0.887760D+01 -0.202426D+02 -0.889021D+00 -0.147009D+02
      5  -0.795852D+01 -0.304693D+02 -0.666701D+00 -0.351227D+01  0.553828D+01
      6  -0.156679D+02 -0.384887D+01 -0.115430D+02 -0.407930D+01  0.113536D+01
               101           102           103           104           105 
      1  -0.105240D+02 -0.405043D+01 -0.289846D+02 -0.146885D+02  0.113305D+02
      2   0.514577D+01  0.160897D+00  0.185476D+02  0.650749D+00 -0.112119D+02
      3   0.537821D+01  0.388954D+01  0.104370D+02  0.140377D+02 -0.118580D+00
      4  -0.171510D+02  0.254321D+01 -0.325508D+02 -0.201244D+02  0.187784D+02
      5   0.313087D+01  0.576491D+01  0.192864D+02  0.185050D+02 -0.167336D+02
      6   0.806936D+01 -0.839305D+00  0.930469D+01  0.353878D+01 -0.115207D+02
               106           107           108           109           110 
      1   0.100063D+02  0.574159D+01  0.136459D+02  0.481578D+02  0.255652D+02
      2  -0.102459D+01 -0.310760D+01 -0.809203D+01 -0.221514D+02 -0.964538D+01
      3  -0.898173D+01 -0.263399D+01 -0.555386D+01 -0.260064D+02 -0.159198D+02
      4   0.669923D+01  0.312360D+02 -0.626454D+01  0.351946D+02  0.302743D+02
      5   0.118028D+02 -0.585653D+01 -0.103114D+01 -0.182264D+02 -0.663386D+01
      6  -0.453859D-01 -0.607725D+01  0.385301D+00 -0.660465D+01 -0.593669D+01
               111           112           113           114           115 
      1  -0.109593D+02  0.482486D+02  0.123588D+02 -0.686777D+01 -0.194503D+02
      2   0.643948D+01 -0.212988D+02  0.659348D+01  0.498678D+01  0.125219D+02
      3   0.451980D+01 -0.269499D+02 -0.189522D+02  0.188099D+01  0.692835D+01
      4  -0.441300D+01  0.413976D+02  0.688620D+02 -0.143186D+02 -0.108386D+02
      5   0.134537D+02 -0.207896D+02 -0.144972D+02  0.274657D+02  0.222845D+02
      6   0.376572D+01 -0.663440D+01 -0.170229D+02  0.144710D+02  0.376709D+01
               116           117           118           119           120 
      1  -0.144857D+01  0.271795D+01  0.513257D+00 -0.117422D+02  0.128348D+02
      2   0.932879D+00 -0.766800D+01  0.823377D+01  0.202176D+01 -0.118298D+02
      3   0.515686D+00  0.495005D+01 -0.874702D+01  0.972045D+01 -0.100504D+01
      4  -0.231913D+02  0.194750D+02 -0.952141D+01  0.961049D+01 -0.689727D+01
      5   0.187987D+02 -0.227469D+02  0.198954D+02 -0.378898D+01 -0.195007D+02
      6   0.144400D+02 -0.960685D+01 -0.224966D+01  0.193294D+00  0.307575D+01
               121           122           123           124           125 
      1  -0.248044D+02  0.292237D+01 -0.406403D+01  0.221336D+02 -0.107917D+02
      2   0.748916D+01  0.132771D+02  0.203723D+01 -0.182858D+02  0.541250D+01
      3   0.173152D+02 -0.161994D+02  0.202680D+01 -0.384779D+01  0.537921D+01
      4   0.302369D+02 -0.450067D+02 -0.126988D+02 -0.765920D+01 -0.143807D+01
      5   0.764427D+01 -0.100642D+02 -0.119301D+02 -0.244373D+02 -0.197434D+01
      6  -0.571386D+01  0.121941D+02  0.125369D+02  0.387699D+01  0.742710D+01
               126           127           128           129           130 
      1  -0.259133D+02 -0.424057D-01  0.108732D+01 -0.283321D+01  0.286731D+01
      2   0.176923D+02 -0.777700D+00  0.664299D-01 -0.151622D+01 -0.231015D+01
      3   0.822104D+01  0.820106D+00 -0.115375D+01  0.434943D+01 -0.557157D+00
      4  -0.991530D+00 -0.682303D+01  0.683644D+01 -0.455972D+01  0.777680D+01
      5   0.273983D+02  0.453649D+01 -0.425595D+01  0.531563D+01 -0.424425D+01
      6   0.926981D+00 -0.478832D+01  0.482717D+01 -0.430644D+01  0.595655D+01
               131           132           133           134           135 
      1  -0.150188D+02  0.124118D+02 -0.518260D+00  0.873833D+01 -0.103453D+02
      2   0.111085D+02 -0.335560D+01 -0.928834D+00 -0.452664D+01  0.104987D+01
      3   0.391024D+01 -0.905617D+01  0.144709D+01 -0.421169D+01  0.929539D+01
      4  -0.110748D+02  0.641715D+01 -0.656501D+01  0.839709D+01 -0.664131D+01
      5   0.476517D+01 -0.459482D+01  0.522375D+01 -0.471609D+01  0.695591D+01
      6  -0.163325D+02  0.137806D+02 -0.527062D+01  0.119304D+02 -0.120332D+02
               136           137           138           139           140 
      1   0.206848D+01 -0.251903D+01  0.177362D+00 -0.199292D+01 -0.116052D+02
      2   0.193979D+01  0.549529D+01 -0.468207D+00  0.519873D+01  0.165332D+02
      3  -0.400827D+01 -0.297626D+01  0.290845D+00 -0.320580D+01 -0.492798D+01
      4   0.766844D+01  0.782963D+01 -0.177400D+01  0.103115D+02  0.128376D+02
      5  -0.474670D+01 -0.304552D+01  0.343840D+01 -0.593878D+01 -0.690192D+01
      6  -0.183965D+01 -0.219942D+01  0.241409D+01 -0.457847D+01 -0.866265D+01
               141           142           143           144           145 
      1   0.443825D+01  0.744237D+00  0.540829D+01 -0.316725D+01 -0.288203D+01
      2  -0.324468D+01 -0.171841D+01 -0.582619D+01  0.181724D+01  0.340782D+01
      3  -0.119358D+01  0.974174D+00  0.417900D+00  0.135000D+01 -0.525788D+00
      4  -0.339523D+01 -0.294183D+01 -0.299533D+01  0.264189D+01 -0.785248D+01
      5   0.534896D+01  0.323850D+01  0.304965D+01 -0.256555D+01  0.453553D+01
      6   0.626704D+01  0.262405D+01  0.502227D+01 -0.364728D+01 -0.614384D+01
               146           147           148           149           150 
      1   0.440096D+01 -0.413632D+01  0.585904D+01 -0.222939D+02  0.141341D+02
      2  -0.476217D+01  0.191488D+01 -0.676691D+01  0.251380D+02 -0.105705D+02
      3   0.361217D+00  0.222144D+01  0.907866D+00 -0.284413D+01 -0.356354D+01
      4   0.893568D+01 -0.577339D+01  0.849800D+01 -0.124024D+02  0.651805D+01
      5  -0.394887D+01  0.469390D+01 -0.383560D+01  0.340296D+01 -0.345360D+01
      6   0.640807D+01 -0.594088D+01  0.681457D+01 -0.193811D+02  0.152636D+02
               151           152           153           154           155 
      1  -0.464298D+01  0.140032D+02 -0.112996D+02  0.202362D+01 -0.360659D+01
      2   0.473545D+01 -0.137293D+02  0.681597D+01  0.688890D+01  0.124435D+02
      3  -0.924691D-01 -0.273874D+00  0.448360D+01 -0.891252D+01 -0.883688D+01
      4  -0.667975D+01  0.937905D+01 -0.649840D+01  0.147611D+02  0.154556D+02
      5   0.380682D+01 -0.345409D+01  0.458515D+01 -0.494393D+01 -0.358963D+01
      6  -0.567085D+01  0.135768D+02 -0.123719D+02 -0.153760D+01 -0.950853D+00
               156           157           158           159           160 
      1  -0.813660D+00 -0.136763D+01 -0.160126D+02  0.330830D+01  0.361023D+01
      2  -0.801527D+00  0.111666D+02  0.309254D+02 -0.515390D+01 -0.408460D+01
      3   0.161519D+01 -0.979901D+01 -0.149129D+02  0.184560D+01  0.474363D+00
      4  -0.279375D+01  0.168499D+02  0.235868D+02 -0.531511D+01 -0.311092D+01
      5   0.319530D+01 -0.644327D+01 -0.723308D+01  0.519875D+01  0.210354D+01
      6   0.267847D+01 -0.405927D+01 -0.749895D+01  0.628962D+01  0.260961D+01
               161           162           163           164           165 
      1   0.702016D+01 -0.278900D+01  0.125942D+02  0.721279D+01  0.952895D-01
      2  -0.102853D+02  0.311659D+01 -0.272990D+01 -0.199022D+01 -0.609237D+00
      3   0.326514D+01 -0.327588D+00 -0.986430D+01 -0.522257D+01  0.513948D+00
      4  -0.501925D+01  0.356011D+01  0.149644D+02  0.166494D+02  0.626832D+01
      5   0.366346D+01 -0.220298D+01  0.433049D+01  0.728373D+01  0.801247D+01
      6   0.485187D+01 -0.330626D+01  0.523879D+01  0.461102D+01  0.267812D+01
               166           167           168           169           170 
      1   0.132429D+02 -0.701824D+01 -0.275970D+01 -0.702437D+01 -0.118744D+01
      2  -0.203087D+01  0.172857D+02  0.272899D+01  0.244691D+01  0.374354D+00
      3  -0.112120D+02 -0.102674D+02  0.307139D-01  0.457746D+01  0.813081D+00
      4   0.247517D+02  0.486883D+02  0.175769D+02  0.492838D+01  0.711013D+01
      5   0.125201D+02  0.171329D+02  0.124542D+02  0.715641D+01  0.729468D+01
      6   0.942113D+01  0.218234D+02  0.127585D+02  0.317739D+01  0.838295D+01
               171           172           173           174           175 
      1  -0.208782D+01  0.533152D+01 -0.376782D+01  0.539556D+01 -0.126205D+02
      2  -0.723517D+00 -0.712211D+01  0.242276D+01 -0.496789D+01  0.997390D+01
      3   0.281134D+01  0.179059D+01  0.134506D+01 -0.427671D+00  0.264655D+01
      4   0.780573D+01 -0.495476D+01  0.464635D+01 -0.438604D+00  0.641542D+01
      5   0.937038D+01  0.894223D+01 -0.142125D+01  0.131056D+02 -0.737912D+01
      6   0.538336D+01 -0.205428D+01  0.989250D+00  0.498281D-01  0.266288D+01
               176           177           178           179           180 
      1  -0.131425D+01  0.570226D+01  0.508621D+01  0.239158D+01 -0.166097D+02
      2  -0.171826D+01  0.658756D+01 -0.109536D+02  0.336044D+01 -0.226496D+02
      3   0.303251D+01 -0.122898D+02  0.586738D+01 -0.575202D+01  0.392592D+02
      4  -0.359065D+01  0.894846D+01 -0.144061D+01  0.742663D+01 -0.760443D+01
      5   0.924398D+01 -0.185532D+02  0.215162D+02 -0.759264D+01  0.512965D+02
      6  -0.326645D+01  0.663196D+01 -0.939470D+00  0.603531D+01 -0.234048D+01
               181           182           183           184           185 
      1   0.113741D+03  0.112476D+02  0.357441D+02  0.158242D+02  0.128726D+02
      2  -0.608304D+02 -0.689956D+01 -0.200943D+02 -0.823801D+01 -0.511818D+01
      3  -0.529106D+02 -0.434807D+01 -0.156498D+02 -0.758618D+01 -0.775443D+01
      4   0.999015D+01  0.139397D+02  0.157040D+01  0.183092D+02  0.919642D+00
      5   0.414450D+02  0.229562D+01  0.264388D+02  0.224758D+01  0.633885D+01
      6   0.124090D+01  0.126342D+01  0.909232D+00  0.281888D+01  0.111430D+01
               186           187           188           189           190 
      1   0.231804D+01  0.441452D+02  0.143973D+01  0.240804D+02  0.887646D-01
      2  -0.110151D+01 -0.259728D+02 -0.129899D+01 -0.172335D+02  0.123032D+01
      3  -0.121653D+01 -0.181725D+02 -0.140743D+00 -0.684687D+01 -0.131909D+01
      4   0.622254D+01  0.304319D+00  0.552068D+01  0.583041D+01 -0.813788D+01
      5   0.655909D+01  0.312748D+02  0.649847D+01  0.230386D+02  0.371578D+01
      6   0.287180D+01  0.783598D+00  0.219255D+01  0.765762D+00 -0.192415D+01
               191           192           193           194           195 
      1  -0.863419D+01  0.397271D+01 -0.665900D+01 -0.778452D+01  0.745622D+01
      2   0.412457D+01 -0.253887D+01  0.162014D+01  0.140481D+02 -0.972886D+01
      3   0.450962D+01 -0.143384D+01  0.503887D+01 -0.626358D+01  0.227264D+01
      4   0.660882D+01 -0.196270D+01  0.955024D+01 -0.225750D+02  0.163986D+02
      5  -0.117768D+01  0.489965D+01 -0.271250D+01  0.166548D+02 -0.183492D+02
      6  -0.250821D+00 -0.305856D+00  0.134623D+01 -0.129292D+02  0.148822D+02
               196           197           198           199           200 
      1   0.751697D+01  0.930156D+01 -0.109799D+02 -0.386090D+02 -0.116804D+02
      2  -0.269509D+01 -0.132888D+02  0.542128D+01  0.209505D+02  0.117150D+02
      3  -0.482187D+01  0.398724D+01  0.555865D+01  0.176585D+02 -0.345164D-01
      4  -0.864231D+01  0.281064D+02 -0.248259D+02  0.106157D+02 -0.783242D+01
      5   0.807053D+01 -0.248073D+02  0.405262D+02 -0.707213D+01 -0.152011D+01
      6  -0.330360D+01  0.175578D+02 -0.244967D+02  0.714850D+01  0.350404D+01
               201           202           203           204           205 
      1  -0.148434D+02 -0.891187D+01 -0.836040D+01 -0.289945D+01 -0.171443D+02
      2   0.740100D+01  0.682061D+01  0.785145D+01  0.328118D+01  0.798269D+01
      3   0.744238D+01  0.209126D+01  0.508950D+00 -0.381729D+00  0.916160D+01
      4   0.288657D+01  0.229203D+01 -0.271395D+01 -0.450015D+00  0.559938D+01
      5  -0.680667D+01 -0.215997D+00 -0.178207D+01 -0.414687D+01 -0.256554D+01
      6   0.674947D+01  0.244142D+01  0.222932D+01  0.490547D+01  0.411157D+01
               206           207           208           209           210 
      1  -0.514895D+01 -0.127676D+02  0.518065D+02 -0.227814D+02 -0.191665D+02
      2   0.531629D+01  0.633968D+01 -0.185518D+02  0.191067D+01  0.847814D+01
      3  -0.167346D+00  0.642796D+01 -0.332547D+02  0.208708D+02  0.106883D+02
      4  -0.544220D+01 -0.382256D+01 -0.452234D+02  0.370249D+02  0.168448D+02
      5  -0.692675D+01 -0.558217D+01 -0.257367D+02  0.126442D+02  0.193913D+02
      6   0.638836D+01  0.492656D+01  0.109587D+02 -0.683191D+01 -0.844158D+01
               211           212           213           214           215 
      1  -0.172485D+02  0.136289D+02  0.526498D+01 -0.259699D+02  0.102717D+02
      2   0.535542D+00  0.264356D+01  0.682745D+00  0.103807D+02  0.495889D+00
      3   0.167130D+02 -0.162725D+02 -0.594772D+01  0.155892D+02 -0.107676D+02
      4   0.308091D+02 -0.286566D+02 -0.124050D+02  0.259676D+02 -0.231028D+02
      5   0.106396D+02 -0.110639D+02 -0.108167D+02  0.231874D+02 -0.173505D+02
      6  -0.642849D+01  0.702072D+01  0.784614D+01 -0.100262D+02  0.104366D+02
               216           217           218           219           220 
      1   0.119903D+02 -0.482561D+02 -0.256003D+01 -0.179181D+02 -0.330936D+01
      2  -0.507027D+01  0.189547D+02  0.988136D+00  0.411236D+00  0.189088D+01
      3  -0.692002D+01  0.293014D+02  0.157189D+01  0.175068D+02  0.141848D+01
      4  -0.200450D+02 -0.724184D+01 -0.517792D+01  0.602621D+00 -0.262377D+00
      5  -0.194055D+02  0.675928D+01  0.256368D+01 -0.117583D+02  0.894893D+00
      6   0.906471D+01  0.705997D+00  0.335976D+01 -0.161213D+01  0.174499D+01
               221           222           223           224           225 
      1  -0.503182D+01 -0.173252D+01 -0.134217D+02  0.385497D+00 -0.194841D+02
      2   0.382381D+01 -0.112354D+01  0.109588D+01 -0.134637D+01 -0.222396D+00
      3   0.120801D+01  0.285606D+01  0.123258D+02  0.960873D+00  0.197065D+02
      4   0.398203D+01 -0.217346D+01 -0.100940D+01 -0.282203D+01 -0.258608D+01
      5  -0.144017D+01 -0.500994D+01 -0.371967D+01 -0.101395D+01 -0.107040D+02
      6  -0.500463D+00  0.282465D+01 -0.120239D+01  0.259510D+01 -0.110232D+01
               226           227           228           229           230 
      1   0.887267D+01  0.103337D+02 -0.556098D+01  0.150698D+02  0.208704D+01
      2  -0.290101D+01 -0.206370D+01  0.332111D+01 -0.282028D+01  0.207184D+02
      3  -0.597166D+01 -0.826998D+01  0.223987D+01 -0.122496D+02 -0.228055D+02
      4   0.133037D+02  0.168340D+02 -0.108283D+01  0.246345D+02  0.730114D+02
      5  -0.702705D+01 -0.224025D+01  0.573452D+01 -0.685704D+01 -0.958068D+01
      6  -0.196641D+01 -0.261243D+01  0.937186D+00 -0.516544D+01 -0.178807D+02
               231           232           233           234           235 
      1   0.558831D+00 -0.103262D+01  0.246055D+01 -0.203602D+00  0.635318D+02
      2   0.139961D+01  0.148061D+01  0.901602D+00  0.110997D+01 -0.428670D+02
      3  -0.195844D+01 -0.447987D+00 -0.336216D+01 -0.906367D+00 -0.206648D+02
      4  -0.777778D+01  0.157961D+01  0.441296D+01  0.544605D+01 -0.652088D+01
      5   0.114829D+02  0.416775D+01  0.525988D+01  0.818769D+00 -0.523749D+02
      6   0.737464D+01  0.852113D+00  0.516081D+01 -0.546432D+00  0.213717D+01
               236           237           238           239           240 
      1  -0.885923D+01 -0.331014D+02 -0.212252D+02  0.100534D+02  0.986379D+01
      2   0.639953D+01  0.266499D+02  0.147500D+02 -0.501545D+01 -0.100703D+02
      3   0.245970D+01  0.645147D+01  0.647525D+01 -0.503791D+01  0.206497D+00
      4   0.136016D+02  0.267684D+01  0.138256D+02 -0.554058D+01 -0.760419D+01
      5   0.622972D+01  0.402019D+02  0.187938D+02 -0.964810D+01 -0.196338D+02
      6  -0.495369D+01 -0.832118D+00 -0.527580D+01  0.309648D+01  0.409943D+01
               241           242           243           244           245 
      1  -0.324051D+02  0.347730D+01  0.214125D+02  0.180292D+01 -0.695518D+01
      2   0.268233D+02 -0.435571D+01 -0.246702D+02 -0.368440D+00  0.340709D+01
      3   0.558179D+01  0.878411D+00  0.325766D+01 -0.143448D+01  0.354809D+01
      4   0.341487D+01 -0.619752D+01 -0.583008D+01 -0.109576D+02  0.856113D+01
      5   0.414612D+02 -0.801872D+01 -0.411624D+02  0.538423D+01 -0.456399D+01
      6  -0.156859D+01  0.382915D+01  0.170833D+01 -0.605430D+01  0.284549D+01
               246           247           248           249           250 
      1   0.838929D+00 -0.963561D+01 -0.459853D+01  0.435684D+01  0.141100D+00
      2  -0.116042D+01  0.390967D+01  0.683901D+01 -0.910641D+00 -0.192723D+01
      3   0.321486D+00  0.572594D+01 -0.224048D+01 -0.344620D+01  0.178613D+01
      4  -0.414143D+01  0.127205D+02 -0.279432D+02  0.126601D+02 -0.526084D+01
      5   0.741649D+01 -0.639700D+01  0.129072D+02 -0.128121D+02  0.109113D+02
      6  -0.176300D+01  0.499375D+01 -0.155294D+02  0.987641D+01 -0.330997D+01
               251           252           253           254           255 
      1   0.217661D+01 -0.293704D+01 -0.283618D+02 -0.103012D+02 -0.418463D+02
      2   0.875413D+00 -0.342838D+01  0.327398D+02  0.100150D+02  0.124517D+02
      3  -0.305203D+01  0.636542D+01 -0.437798D+01  0.286278D+00  0.293945D+02
      4   0.128700D+02 -0.950100D+01 -0.164157D+02  0.245651D+01 -0.123234D+02
      5  -0.905050D+01  0.148432D+02 -0.513998D+02 -0.813184D+01 -0.136163D+02
      6   0.999070D+01 -0.788678D+01 -0.108998D+02  0.118446D+01  0.835342D-01
               256           257           258           259           260 
      1  -0.243825D+01  0.315121D+01 -0.134056D+02 -0.360946D+02 -0.121107D+02
      2   0.360400D+01 -0.196166D+02  0.901152D+01  0.980072D+01  0.138207D+02
      3  -0.116575D+01  0.164654D+02  0.439411D+01  0.262939D+02 -0.170995D+01
      4   0.115062D+02 -0.676625D+01  0.180941D+02 -0.550853D+01  0.168598D+02
      5   0.208962D+01  0.220678D+02  0.972844D+01 -0.257078D+01  0.375719D+01
      6   0.934553D+01  0.378762D+01  0.167299D+02  0.544070D+01  0.125838D+02
               261           262           263           264           265 
      1   0.104976D+02  0.352623D+02 -0.861995D+01 -0.224567D+02  0.424585D+01
      2   0.424378D+01 -0.231665D+02  0.484170D+01  0.164303D+02 -0.514795D+01
      3  -0.147414D+02 -0.120958D+02  0.377825D+01  0.602642D+01  0.902108D+00
      4   0.886636D+01 -0.162406D+02  0.107888D+02  0.104551D+02  0.504458D+01
      5   0.328905D+01 -0.324732D+02  0.899186D+01  0.283571D+02 -0.493156D+01
      6   0.355640D+01  0.588693D+01 -0.300322D+01 -0.519578D+01 -0.170071D+01
               266           267           268           269           270 
      1   0.166912D+01 -0.420880D+01 -0.281807D+02  0.665913D+01  0.207859D+02
      2  -0.443216D+00  0.496320D+01  0.227028D+02 -0.466624D+01 -0.229606D+02
      3  -0.122591D+01 -0.754399D+00  0.547790D+01 -0.199289D+01  0.217471D+01
      4  -0.572776D+01 -0.387294D+01  0.152767D+02 -0.132702D+02 -0.155016D+02
      5  -0.409740D+01  0.448056D+01  0.402402D+02 -0.133981D+02 -0.470208D+02
      6   0.203833D+01  0.260184D+01 -0.717088D+01  0.555877D+01  0.965761D+01
               271           272           273           274           275 
      1   0.412249D+00  0.714638D+01  0.323773D+01  0.769302D+01 -0.167210D+02
      2   0.159659D+01 -0.656929D+01  0.269885D+00 -0.452095D+01  0.340513D+02
      3  -0.200884D+01 -0.577091D+00 -0.350762D+01 -0.317207D+01 -0.173303D+02
      4   0.361411D+01  0.459972D+00  0.622977D+00  0.592533D+01  0.281359D+02
      5   0.181640D+01  0.263448D+01  0.771409D+00  0.482041D+01 -0.524276D+01
      6   0.159445D+01 -0.197364D+01 -0.131644D+01  0.632700D+00  0.138740D+02
               276           277           278           279           280 
      1  -0.301648D+00 -0.160788D+01  0.485990D+01 -0.207897D+01  0.638597D+02
      2  -0.629585D+01  0.226982D+01 -0.105077D+02  0.462565D+01 -0.451197D+02
      3   0.659750D+01 -0.661939D+00  0.564778D+01 -0.254668D+01 -0.187400D+02
      4  -0.212971D+01 -0.215029D+01 -0.103103D+02  0.861073D+00  0.260152D+02
      5   0.763279D+01 -0.166647D+01  0.221112D+01 -0.785233D+01  0.611481D+02
      6   0.378568D+01 -0.148564D+01 -0.214768D+01 -0.313955D+01  0.117412D+02
               281           282           283           284           285 
      1   0.641308D+01  0.213650D+02  0.124602D+01  0.504953D+01  0.165799D+01
      2  -0.339247D+01 -0.219058D+02  0.101793D+01 -0.777736D+00 -0.209653D+00
      3  -0.302061D+01  0.540759D+00 -0.226395D+01 -0.427179D+01 -0.144834D+01
      4   0.149531D+02  0.130833D+02  0.114396D+02  0.587331D+01  0.423360D+01
      5   0.117015D+02  0.379518D+02  0.296465D+01  0.554921D+01  0.987134D+00
      6   0.876873D+01  0.919769D+01  0.607916D+01  0.279751D+01  0.338341D+01
               286           287           288           289           290 
      1   0.166749D+02  0.202192D+01  0.777959D+01 -0.139185D+02  0.486954D+01
      2  -0.176538D+02 -0.269439D+01 -0.154031D+02 -0.172455D+01 -0.279816D+01
      3   0.978974D+00  0.672473D+00  0.762355D+01  0.156430D+02 -0.207139D+01
      4   0.927696D+01  0.440008D+01  0.617621D+01 -0.309835D+01 -0.271455D+01
      5   0.312728D+02  0.581664D+01  0.259319D+02  0.250994D+00 -0.110819D+01
      6   0.632696D+01  0.395923D+01  0.659757D+01  0.332775D+01 -0.570833D+01
               291           292           293           294           295 
      1   0.256024D+02 -0.111450D+01 -0.575777D+01  0.198148D+01  0.178748D+02
      2   0.238660D+01 -0.210626D+00  0.245845D+01  0.231320D+01 -0.147557D+01
      3  -0.279890D+02  0.132513D+01  0.329933D+01 -0.429468D+01 -0.163992D+02
      4   0.275742D+01 -0.120642D+01 -0.425443D+00  0.471971D+00  0.452718D+01
      5  -0.308206D+01 -0.115256D+01 -0.161659D+01 -0.357651D+01  0.464287D+01
      6  -0.714412D+01 -0.324200D+01  0.420089D+00  0.435217D+01 -0.268535D+01
               296           297 
      1  -0.366080D+01 -0.340771D+02
      2   0.333417D+00 -0.118161D+02
      3   0.332738D+01  0.458932D+02
      4   0.190925D+01 -0.224589D+01
      5   0.214683D+01  0.164043D+02
      6   0.666874D+01  0.113693D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.688865D+00      0.175092D+01      0.584044D+01
   x         -0.450098D+00     -0.114403D+01     -0.381609D+01
   y         -0.500508D+00     -0.127216D+01     -0.424348D+01
   z          0.146421D+00      0.372165D+00      0.124141D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.158480D+03      0.234843D+02      0.261298D+02
   aniso      0.671844D+02      0.995570D+01      0.110772D+02
   xx         0.200171D+03      0.296622D+02      0.330037D+02
   yx         0.559380D+01      0.828915D+00      0.922293D+00
   yy         0.144713D+03      0.214442D+02      0.238599D+02
   zx         0.708171D+01      0.104940D+01      0.116762D+01
   zy        -0.833210D+01     -0.123469D+01     -0.137378D+01
   zz         0.130555D+03      0.193463D+02      0.215257D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.165251D+03      0.244877D+02      0.272462D+02
   aniso      0.697098D+02      0.103299D+02      0.114936D+02
   xx         0.208313D+03      0.308687D+02      0.343461D+02
   yx         0.621683D+01      0.921240D+00      0.102502D+01
   yy         0.151107D+03      0.223918D+02      0.249142D+02
   zx         0.772439D+01      0.114464D+01      0.127358D+01
   zy        -0.873029D+01     -0.129370D+01     -0.143943D+01
   zz         0.136333D+03      0.202025D+02      0.224783D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -2.56020495         -0.08751731         -0.43312935
     6         -2.33456434         -0.21033613          2.19206974
     6         -0.46529858         -0.30452154         -1.99364444
     6          1.93626738         -0.66447071         -0.97198986
     6          2.17193891         -0.82340903          1.64158988
     6          0.06988398         -0.59650242          3.19661397
     6         -4.60442520          0.09901188          3.88033753
     6         -5.18909199          2.85112759          4.67842099
     6         -5.84057765          4.53180352          2.42251151
     6         -3.06139518          4.01200298          6.24793572
     6          4.24908743         -0.85373927         -2.66465964
     6          3.88190916         -3.02729133         -4.49662185
     8          3.03565785         -2.86308256         -6.60185448
     8          4.57357438         -5.26144119         -3.46633066
     1         -4.40985207          0.17209048         -1.26993407
     1         -0.70079862         -0.22179664         -4.02439720
     1          4.01722326         -1.13624541          2.47120205
     1          0.30215328         -0.73432517          5.22540443
     1         -4.33460030         -1.02514809          5.59200429
     1         -6.26930349         -0.66251348          2.92399482
     1         -6.86880239          2.73619165          5.88316847
     1         -7.39671904          3.74432295          1.31846573
     1         -4.22007614          4.75091680          1.16494084
     1         -6.40288546          6.41294903          3.05627939
     1         -1.33795859          4.21260091          5.13205527
     1         -2.61761014          2.85009163          7.89538121
     1         -3.59546318          5.88746097          6.92170756
     1          5.85959699         -1.33286771         -1.47095916
     6          4.77744333          1.61103491         -4.08015094
     1          4.19204233         -6.56161297         -4.70148150
     1          3.21839007          2.07611468         -5.33919721
     1          6.48918729          1.45617621         -5.21831910
     1          5.01580310          3.14861423         -2.73052678

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.688865D+00      0.175092D+01      0.584044D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.688865D+00      0.175092D+01      0.584044D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.158480D+03      0.234843D+02      0.261298D+02
   aniso      0.671844D+02      0.995570D+01      0.110772D+02
   xx         0.169371D+03      0.250982D+02      0.279255D+02
   yx        -0.170667D+02     -0.252902D+01     -0.281391D+01
   yy         0.132401D+03      0.196199D+02      0.218300D+02
   zx        -0.240454D+02     -0.356316D+01     -0.396455D+01
   zy         0.109752D+02      0.162636D+01      0.180957D+01
   zz         0.173667D+03      0.257348D+02      0.286338D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.165251D+03      0.244877D+02      0.272462D+02
   aniso      0.697098D+02      0.103299D+02      0.114936D+02
   xx         0.176667D+03      0.261794D+02      0.291285D+02
   yx        -0.173746D+02     -0.257466D+01     -0.286469D+01
   yy         0.137770D+03      0.204155D+02      0.227153D+02
   zx        -0.249684D+02     -0.369994D+01     -0.411673D+01
   zy         0.110783D+02      0.164163D+01      0.182656D+01
   zz         0.181315D+03      0.268682D+02      0.298949D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-19\Freq\RwB97XD\Gen\C13H18O2\PIERPA\08-Sep-2021\0\\#P
  wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA G
 uess=Read Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\C,-0.70991,0.
 670807,-0.967581\C,-1.514787,-0.421985,-0.641507\C,0.592878,0.771936,-
 0.502207\C,1.137615,-0.225982,0.304676\C,0.347678,-1.327177,0.619024\C
 ,-0.957714,-1.421755,0.154368\C,-2.940864,-0.508394,-1.117499\C,-3.987
 455,0.128199,-0.171742\C,-3.779028,1.632708,-0.004548\C,-4.041131,-0.5
 69211,1.186803\C,2.555065,-0.110902,0.841195\C,3.512909,0.020089,-0.32
 7512\O,3.916643,1.053908,-0.793769\O,3.856696,-1.186888,-0.831471\H,-1
 .108539,1.453325,-1.601421\H,1.197146,1.626236,-0.780243\H,0.758326,-2
 .12193,1.230081\H,-1.550996,-2.291094,0.409882\H,-3.207271,-1.558295,-
 1.2639\H,-3.023252,-0.023303,-2.093508\H,-4.956106,-0.021345,-0.6612\H
 ,-3.767687,2.144305,-0.969553\H,-2.833997,1.845956,0.498551\H,-4.58069
 1,2.067606,0.595584\H,-3.105962,-0.437299,1.734311\H,-4.217867,-1.6417
 41,1.078812\H,-4.845765,-0.157244,1.799012\H,2.793783,-1.046687,1.3480
 92\C,2.714984,1.060322,1.812332\H,4.422318,-1.021428,-1.602212\H,2.519
 413,2.006373,1.310475\H,3.727494,1.097018,2.216623\H,2.011507,0.951447
 ,2.637725\\Version=ES64L-G16RevA.03\State=1-A\HF=-657.0235965\RMSD=8.3
 61e-09\RMSF=1.834e-06\ZeroPoint=0.284504\Thermal=0.3000427\Dipole=-0.4
 500978,-0.5005081,0.1464208\DipoleDeriv=-0.1109825,-0.0220751,0.040635
 ,-0.0691576,0.024031,-0.1025873,0.0349117,-0.0821564,-0.0418685,0.2885
 721,-0.0082941,0.0594857,-0.000623,-0.0807984,-0.0191721,0.1063002,-0.
 0235555,-0.0865254,-0.1062411,0.0361355,-0.012718,0.0683472,-0.014436,
 -0.0403733,-0.016995,-0.0454441,-0.0794398,0.2628063,0.0779865,0.07661
 99,0.0402698,-0.0667701,-0.0081457,0.1942299,0.0193202,-0.1013775,-0.0
 913751,-0.0404132,0.0368086,0.0034674,0.0388274,-0.0839679,0.0409406,-
 0.0902973,-0.0441151,-0.1171768,0.072773,-0.0120003,0.0977103,0.027689
 7,-0.0380921,-0.0641793,-0.0611608,-0.0877894,0.030446,0.0111207,0.003
 0761,0.0925576,0.1105083,0.013097,0.1532617,-0.0005062,0.1344182,0.181
 2788,-0.0043232,-0.0067362,-0.0834013,0.1573527,-0.0235973,-0.1506445,
 -0.0106189,0.1192995,0.0547298,-0.0063673,0.0037804,-0.0095241,-0.0310
 124,-0.0220271,0.0544567,-0.0259593,0.074185,0.0612781,0.003402,0.0124
 365,0.0472176,0.0579485,0.0401388,0.0369462,0.0380818,-0.0197407,-0.10
 73383,-0.0387126,0.1359696,-0.1456285,0.0940189,0.010305,0.0851649,0.0
 096829,0.0656278,0.9371726,-0.0281742,-0.4885016,-0.0424017,1.5705404,
 0.1654336,-0.8662449,0.1027153,0.707734,-0.6732376,-0.2273702,0.193791
 2,-0.1730455,-0.9387209,0.0026789,0.3772205,0.2189481,-0.5434262,-0.56
 51051,0.3005229,0.1364243,0.3274601,-0.9897777,-0.2830098,0.2649911,-0
 .3957914,-0.4770494,0.0368578,0.0401546,-0.0688767,0.0461989,-0.000780
 6,0.078246,-0.0756158,0.0803429,0.0397157,0.0464781,-0.0674052,0.00819
 58,-0.0776575,0.0148034,0.0323465,0.0125482,0.0365086,0.0974897,0.0283
 331,0.0562676,-0.0608408,0.0454977,0.0007694,0.0788398,-0.0634796,0.08
 39454,0.0440979,0.0044744,-0.1002894,0.0014508,-0.1031107,-0.015279,0.
 0446888,-0.0053468,0.0405612,0.0864497,-0.0364221,-0.0061492,-0.018567
 ,-0.0602649,-0.1480384,-0.0629117,-0.0177172,-0.0045327,0.0503639,-0.0
 299459,-0.0099013,0.0144333,0.0170565,0.0206378,0.1077662,-0.0418516,0
 .0545574,-0.1227078,-0.216894,-0.0251688,-0.0899441,-0.0007611,-0.0011
 065,-0.0095751,-0.0493752,-0.013861,-0.0345326,0.0740254,-0.0257389,0.
 018303,-0.0190801,-0.0220345,0.063035,-0.0031404,0.1130217,-0.116607,-
 0.0622463,-0.0603846,-0.0794931,-0.0314226,0.0293972,0.0075804,-0.1104
 381,0.0007181,0.0093182,-0.0896096,0.0974693,0.0890917,0.0613285,0.003
 2193,-0.0419572,0.1103478,-0.0746208,-0.0005304,-0.061037,-0.0177701,-
 0.1041137,-0.0591609,0.0278396,0.0005595,-0.0948259,0.007538,0.009238,
 0.0750315,-0.012035,-0.0038834,-0.0391593,-0.1694536,0.017475,-0.01871
 31,-0.0295298,0.0281149,-0.0927685,0.0457631,0.1171473,0.0888015,0.034
 7188,-0.057175,0.1035653,-0.0240035,-0.028954,0.0327627,-0.0028488,-0.
 0010955,0.0467746,-0.0779568,0.0400858,-0.0096767,0.0253331,-0.003783,
 -0.002792,-0.0070321,-0.016021,0.0273735,0.0283496,0.018559,0.0189183,
 -0.0311555,0.076762,0.3250878,-0.0336919,0.036541,-0.0846439,0.2619976
 ,0.0764976,0.0289794,0.0486173,0.2566731,0.0726125,0.0370941,-0.026694
 2,0.0303288,-0.0381011,0.0167467,-0.0245952,0.0814175,0.0167639,-0.147
 5137,-0.0283051,-0.1092025,-0.0302079,0.0454823,-0.035095,-0.09988,-0.
 0336543,0.0190615,-0.0012615,-0.0062394,0.1144975,-0.0111395,0.046134,
 0.0136069,0.0899369,-0.0144619,-0.0468662\Polar=200.1707332,5.593797,1
 44.7128396,7.0817139,-8.3321009,130.5554752\Quadrupole=0.9371817,-1.92
 10555,0.9838739,-4.1588102,1.6837153,0.1066615\PG=C01 [X(C13H18O2)]\NI
 mag=0\\0.62749729,0.05978573,0.56648817,0.16063663,-0.23472876,0.34096
 552,-0.17952783,-0.11728618,0.02638082,0.59395146,-0.06454086,-0.22628
 655,0.07033469,0.06799932,0.55221682,-0.00524803,0.04829096,-0.0995237
 6,0.11553429,-0.18936343,0.33545335,-0.30732166,0.00148475,-0.09994619
 ,-0.03521463,-0.06369017,0.02031487,0.64319251,-0.05244501,-0.11407233
 ,0.01094308,-0.02515268,0.02202585,-0.01817325,0.12007848,0.57739020,-
 0.06873529,0.03244668,-0.10702080,-0.00126331,-0.03402599,0.02591425,0
 .13120747,-0.21647036,0.31830989,-0.01543736,0.02519626,-0.02347202,0.
 00191461,-0.00500757,0.00572535,-0.14453876,0.06583580,-0.06945307,0.5
 7010686,0.06514495,0.03456826,0.01046021,-0.00492549,-0.05642006,0.027
 34450,0.01426735,-0.21091461,0.09112540,0.08028244,0.55943046,-0.04728
 037,-0.00558443,-0.00857021,0.00674416,0.02724923,-0.01977620,-0.03903
 601,0.11052729,-0.14976209,0.11419486,-0.18953123,0.33159045,-0.051341
 38,-0.02730764,-0.00238654,-0.01411484,0.06448594,-0.04609296,0.055462
 79,-0.02231570,0.03024079,-0.17731075,-0.06761810,-0.00611546,0.623119
 75,-0.02780904,-0.01915293,-0.00437829,0.02620449,0.03401113,-0.006299
 68,0.01543813,-0.04487000,0.03828809,-0.12399016,-0.23664807,0.0480364
 8,0.05974710,0.58206246,-0.00154947,-0.00388398,-0.00559999,-0.0227233
 6,0.00996022,-0.00788733,0.00819772,0.02365104,0.00030567,0.02633651,0
 .07022018,-0.09486167,0.16146999,-0.23202434,0.32753116,0.05518753,0.0
 1523764,0.01030012,-0.14885976,0.01749714,-0.04150465,-0.03995435,0.02
 058187,-0.02523549,-0.03530303,-0.06526314,0.02116041,-0.30321849,0.00
 306629,-0.09825440,0.63829890,-0.02052279,-0.04468734,0.02334667,0.070
 97225,-0.21354208,0.11082416,0.01899382,-0.01189300,0.01061357,-0.0249
 0188,0.01974776,-0.01771513,-0.05072854,-0.11440762,0.01100525,0.11453
 864,0.58698525,0.03114673,0.03868301,0.00080363,-0.07217726,0.08881179
 ,-0.14624438,-0.02481785,0.01135410,-0.02330185,-0.00231028,-0.0345489
 9,0.02585364,-0.06705956,0.03287966,-0.10525861,0.13368192,-0.21187817
 ,0.30746010,-0.02247304,-0.00832720,-0.00737757,-0.18039119,-0.0093347
 1,-0.03689277,0.00303277,-0.00237317,-0.00061351,-0.00135902,-0.000105
 04,-0.00024503,0.00381040,-0.00069854,-0.00168229,-0.01542965,0.003464
 29,-0.01179145,0.44722569,-0.02614799,0.00278303,-0.00783900,-0.014577
 49,-0.08842258,0.00299982,-0.00420893,-0.00175473,0.00452150,0.0002469
 4,-0.00146312,0.00021583,0.00076238,-0.00188016,0.00431350,0.02236456,
 0.00511127,0.00725789,0.04010409,0.57405049,0.00418732,-0.00118037,0.0
 0595351,-0.04643908,0.00418832,-0.09422952,-0.00009351,0.00366160,0.00
 381780,0.00036618,0.00014057,-0.00119426,-0.00267492,0.00527411,0.0034
 8011,-0.02150575,0.00029646,-0.00350764,0.03854177,-0.05350988,0.51685
 202,0.00088534,0.00166297,-0.00069793,-0.03180403,0.01154246,0.0143619
 8,-0.00022818,-0.00055095,-0.00113372,0.00032009,0.00013898,0.00025168
 ,-0.00029528,-0.00061825,-0.00106774,0.00063734,-0.00159063,0.00131856
 ,-0.10722898,0.02206808,0.03376672,0.54031466,-0.00173942,-0.00146700,
 -0.00141567,0.00461916,0.00188370,0.00568793,0.00051690,-0.00065540,-0
 .00039221,-0.00025792,0.00029311,-0.00012236,-0.00003560,-0.00001564,0
 .00015305,-0.00027567,0.00042413,-0.00028038,0.01604861,-0.08792080,-0
 .01942049,0.02288481,0.46676674,-0.00135843,-0.00103790,-0.00085408,0.
 00162056,0.00718493,0.01301906,0.00025449,-0.00039017,-0.00042694,-0.0
 0046555,-0.00000493,0.00010693,0.00061666,-0.00025361,-0.00100813,-0.0
 0195432,-0.00013357,-0.00254345,0.02273682,-0.01814598,-0.10382621,0.0
 5830817,0.00367085,0.48708211,-0.00078037,0.00033786,0.00071930,0.0013
 0187,0.00128591,0.00025735,0.00012806,0.00000540,-0.00004731,-0.000148
 56,0.00003233,-0.00015828,-0.00001878,-0.00001409,-0.00003937,-0.00019
 712,0.00002562,-0.00031880,0.00322488,0.02439897,0.00367083,-0.0828364
 3,-0.01676732,-0.00271356,0.56480513,0.00025543,0.00013867,-0.00044185
 ,0.00007422,0.00009143,-0.00008841,0.00010002,-0.00024915,0.00003332,-
 0.00008575,0.00017591,-0.00005559,-0.00010712,-0.00013513,0.00001073,-
 0.00009589,-0.00001042,-0.00003509,0.00327731,-0.01896788,-0.00624721,
 -0.01759553,-0.17534742,-0.01143685,-0.01413689,0.46392371,0.00085988,
 -0.00069386,-0.00005907,-0.00068720,0.00008392,-0.00018444,-0.00007974
 ,-0.00001805,-0.00043724,-0.00010842,-0.00001425,0.00002886,0.00005681
 ,-0.00004849,0.00014064,0.00006092,0.00032638,-0.00009495,-0.00101706,
 -0.02143993,-0.00388094,-0.00368748,-0.01236437,-0.07932250,-0.0047935
 3,-0.01371073,0.56942095,-0.00019783,-0.00026308,-0.00014485,0.0009639
 4,-0.00066803,0.00131917,0.00000086,-0.00002481,-0.00001133,-0.0001581
 1,-0.00008321,-0.00009357,0.00008133,-0.00012571,-0.00000421,-0.000653
 48,0.00064421,0.00055476,-0.00180067,-0.01021525,0.02353766,-0.0798863
 3,-0.00029000,-0.00047705,0.00011651,-0.00399140,0.00516429,0.56596724
 ,0.00007877,-0.00018078,0.00023596,-0.00079246,0.00013889,-0.00035282,
 0.00011301,0.00005876,0.00010487,0.00000991,0.00011846,-0.00004932,-0.
 00019907,-0.00034275,-0.00012730,0.00083219,0.00030699,-0.00049789,-0.
 00092713,0.00655212,-0.01069966,-0.00056522,-0.09831264,0.04054170,-0.
 00127978,-0.02385691,0.03325236,-0.00349529,0.55001823,-0.00010860,-0.
 00018331,0.00007725,-0.00023592,-0.00021523,0.00006661,-0.00002630,0.0
 0014611,-0.00006704,-0.00015943,-0.00005960,0.00006114,0.00004629,-0.0
 0008288,-0.00029657,0.00060547,-0.00023373,-0.00032879,0.00635535,0.00
 711369,-0.02438817,-0.00150241,0.04168164,-0.15913807,0.00032340,0.004
 90330,0.00137789,0.00176805,0.04406237,0.48141332,0.00401293,0.0007508
 4,-0.00245441,-0.00095897,-0.00053651,0.00060280,-0.01789073,0.0040546
 2,-0.00975657,-0.16192364,-0.01076228,-0.02570725,-0.02557859,-0.00449
 264,-0.00861200,0.00185209,-0.00373858,-0.00119860,-0.00012450,0.00020
 299,0.00024785,-0.00009152,0.00000911,-0.00001408,0.00001688,0.0000019
 3,-0.00001054,0.00001676,-0.00001861,0.00000135,0.43624404,0.00101379,
 -0.00276129,0.00506003,-0.00060979,-0.00136329,-0.00015887,0.02156451,
 0.00714070,0.00624843,-0.00245627,-0.08108878,0.00892747,-0.02385520,0
 .00080864,-0.00850255,-0.00274023,-0.00122097,0.00389931,0.00028470,0.
 00003312,-0.00012379,0.00000523,-0.00007341,-0.00008847,0.00000628,-0.
 00003854,0.00003544,-0.00000394,0.00003566,0.00001748,-0.02724162,0.57
 818186,-0.00132379,0.00440027,0.00250464,0.00000826,-0.00007688,-0.000
 92424,-0.01888693,-0.00095794,-0.00557558,-0.04206949,0.00528581,-0.08
 463428,0.00379339,-0.00050841,0.00657666,-0.00044719,0.00456547,0.0046
 6351,0.00045293,-0.00036962,-0.00055890,0.00003429,0.00006147,0.000137
 18,0.00000946,-0.00000303,-0.00001539,0.00000706,-0.00000212,-0.000023
 77,0.00427400,-0.05664225,0.47671297,-0.00043266,-0.00106042,0.0001390
 8,-0.00002324,0.00064405,-0.00017772,0.00140497,0.00083846,0.00017641,
 -0.03813416,-0.00679854,0.01805962,-0.00130169,0.00018727,-0.00051439,
 0.00059419,-0.00088199,-0.00023499,-0.00012018,-0.00015847,-0.00030909
 ,-0.00004049,0.00015650,0.00026202,-0.00002064,-0.00001345,-0.00013376
 ,-0.00003709,-0.00010249,-0.00007939,-0.11117437,0.00077462,0.04204316
 ,0.41686591,0.00003045,-0.00112273,0.00100547,-0.00022406,-0.00030057,
 -0.00001444,0.00189060,0.00358477,-0.00090602,-0.00531745,-0.00293177,
 -0.00042827,-0.00083729,-0.00072656,-0.00079734,-0.00077499,-0.0008384
 4,-0.00055973,0.00000606,-0.00017272,0.00004712,-0.00004738,0.00008929
 ,0.00004988,0.00006251,0.00000750,-0.00001209,0.00002559,-0.00000867,0
 .00000537,0.00746397,-0.07502057,0.00088124,0.13259508,0.83121977,-0.0
 0001450,0.00006708,-0.00135663,-0.00027625,-0.00004615,0.00003375,-0.0
 0382772,-0.00085809,-0.00090836,0.00741159,-0.00155103,0.01999807,-0.0
 0535295,0.00124792,-0.00275627,-0.00018866,-0.00143899,-0.00097698,-0.
 00007484,0.00036515,0.00055359,0.00003384,-0.00023415,-0.00042004,0.00
 000862,-0.00001157,0.00015348,0.00003483,0.00011680,0.00007947,0.03196
 731,0.00819870,-0.14015788,-0.22586415,-0.13724055,0.51982089,0.000024
 32,-0.00022562,0.00019218,-0.00003721,-0.00018603,-0.00005204,-0.00108
 553,0.00045043,0.00006983,0.00341194,0.00108016,-0.00078258,-0.0003566
 2,-0.00006166,-0.00008632,-0.00017704,0.00008929,-0.00020127,0.0000454
 7,0.00004366,0.00017414,0.00004299,-0.00008952,-0.00015394,0.00000275,
 0.00001193,0.00007990,0.00001337,0.00005733,0.00004949,0.00490182,-0.0
 2937611,0.02053752,-0.16893417,-0.17697529,0.10856808,0.13842678,-0.00
 018851,0.00051198,-0.00091409,0.00019667,0.00016293,0.00001967,-0.0002
 3373,-0.00210096,0.00065353,0.00352103,-0.00013864,0.00356983,-0.00134
 948,0.00070009,-0.00013023,0.00037108,0.00002059,-0.00013614,-0.000053
 42,0.00022036,0.00015210,0.00003311,-0.00010961,-0.00013670,-0.0000427
 0,-0.00000182,0.00004495,-0.00001026,0.00003386,0.00001956,-0.01561131
 ,-0.01126356,0.01274158,-0.18545866,-0.54217755,0.21435128,0.21073956,
 0.66015435,0.00040661,-0.00003991,0.00071031,0.00001200,-0.00021776,0.
 00007253,0.00015366,0.00153822,0.00015933,-0.00189111,0.00197847,-0.00
 602533,0.00243411,-0.00059424,0.00104004,-0.00020976,0.00040530,0.0004
 0626,0.00004675,-0.00021235,-0.00025901,-0.00000650,0.00011164,0.00018
 850,-0.00000768,0.00000912,-0.00007760,-0.00002687,-0.00005030,-0.0000
 3705,0.02009835,0.02901320,-0.00422748,0.10824692,0.20272878,-0.206394
 44,-0.12550102,-0.23659456,0.18071889,0.00008165,-0.00005100,-0.000058
 65,0.00004922,-0.00010505,-0.00001721,-0.00030922,-0.00039532,0.000326
 54,0.00174276,0.00123453,0.00114241,-0.00015436,0.00045804,-0.00010524
 ,-0.00006366,0.00007862,-0.00013795,0.00002130,0.00008889,0.00015386,0
 .00003138,-0.00007429,-0.00013695,0.00001085,0.00000365,0.00006219,0.0
 0001290,0.00005029,0.00003916,-0.00400015,0.02272908,0.01943167,-0.099
 13015,0.03949535,0.04745893,0.03282801,-0.00643410,-0.00482303,0.24556
 235,-0.00014831,0.00054513,-0.00007379,0.00010497,0.00025549,-0.000081
 65,0.00041373,-0.00113941,0.00047882,-0.00183329,0.00037307,-0.0019599
 3,0.00043985,-0.00037678,0.00049955,0.00053910,0.00037752,0.00042546,0
 .00002516,-0.00003486,-0.00019052,0.00000478,0.00003439,0.00011141,-0.
 00003639,0.00000061,-0.00004218,-0.00002526,-0.00003754,-0.00002796,0.
 00587060,-0.00352314,-0.00519118,0.02486092,-0.20857754,-0.03844510,0.
 00010021,-0.11167551,-0.00673207,0.00729240,0.38487710,0.00020499,0.00
 035485,0.00037331,0.00011264,-0.00004140,0.00008747,0.00062450,-0.0001
 9311,0.00052493,-0.00221672,-0.00103272,-0.00378673,0.00088053,-0.0001
 9623,0.00054985,0.00011714,0.00031522,0.00031165,0.00002653,-0.0001048
 0,-0.00020781,0.00000737,0.00007041,0.00013845,-0.00002802,0.00000577,
 -0.00005475,-0.00002999,-0.00004216,-0.00003014,0.01851247,-0.02866254
 ,-0.01347382,0.04894287,-0.06095067,-0.12995541,-0.00427535,0.00189608
 ,0.03550460,-0.27902918,0.00308532,0.41859756,-0.09316211,0.06865282,-
 0.06483352,0.00962691,-0.01289815,0.01014011,-0.00745084,0.02315114,-0
 .01781392,-0.00402585,-0.00256312,-0.00320530,-0.00092523,-0.00060590,
 0.00019810,-0.00097147,-0.00410131,-0.00039098,0.00040258,0.00038902,0
 .00185502,-0.00020042,-0.00029512,-0.00008706,-0.00016615,-0.00004705,
 0.00041817,0.00000029,0.00003660,-0.00000102,-0.00018492,0.00112517,-0
 .00064381,0.00041076,0.00017609,-0.00048630,-0.00013399,-0.00019652,0.
 00024728,-0.00008261,0.00003033,0.00014515,0.09648053,0.06828232,-0.19
 658115,0.12453219,0.01048802,-0.01468327,0.01532473,-0.00199445,0.0048
 1487,-0.00222694,-0.00185832,0.00306027,0.00208881,-0.00070093,-0.0000
 5670,-0.00051751,-0.00465265,-0.00159060,0.00274475,0.00237532,-0.0003
 8278,-0.00049380,-0.00011904,0.00020997,0.00008643,0.00017160,-0.00026
 850,-0.00020231,0.00011952,-0.00006702,0.00003396,-0.00023476,0.000157
 94,-0.00000787,-0.00007188,0.00010182,0.00009869,0.00008664,-0.0000156
 9,-0.00005172,0.00003893,-0.00006825,-0.00007403,-0.07329716,0.2059543
 1,-0.06396160,0.12454739,-0.13779081,-0.00493359,0.00535893,-0.0017039
 0,-0.00293205,0.00819989,-0.00330694,-0.00363442,0.00150754,0.00533109
 ,0.00033460,-0.00047695,-0.00005058,0.00000180,0.00276389,0.00433320,0
 .00100107,-0.00259289,-0.00177101,0.00050750,0.00071416,0.00039683,-0.
 00006921,0.00012703,0.00017663,-0.00000298,-0.00013565,-0.00003907,-0.
 00005969,0.00053738,-0.00001528,0.00022393,0.00014690,-0.00028349,-0.0
 0003278,-0.00011188,0.00011119,-0.00005138,0.00000812,0.00005152,0.072
 43950,-0.13816928,0.13819437,-0.01237393,-0.02458461,0.00879114,-0.003
 62239,-0.00005577,-0.00425674,-0.14193189,-0.12454283,0.03314020,0.011
 13579,0.00953936,-0.00277041,0.00012075,0.00151264,-0.00309097,-0.0004
 9970,0.00070693,-0.00044649,-0.00014574,-0.00113199,0.00045442,-0.0000
 2106,-0.00011004,-0.00014780,-0.00005210,-0.00001315,0.00002194,-0.000
 00953,0.00003212,0.00000384,-0.00041382,0.00031002,0.00088532,-0.00018
 198,0.00219145,-0.00101324,-0.00046476,-0.00091938,0.00057422,0.000013
 39,-0.00065842,-0.00004738,0.00057805,0.00106912,0.00118112,0.14794339
 ,0.00042228,0.00192186,0.00072889,-0.00099207,0.00318048,0.00237988,-0
 .12352716,-0.22587515,0.06498510,-0.01397593,-0.01455976,0.00534537,0.
 00206232,-0.00051636,0.00476081,0.00067861,0.00021816,-0.00016509,0.00
 021486,-0.00005261,0.00015950,0.00000771,-0.00001111,-0.00002021,0.000
 01380,0.00000338,0.00000837,-0.00000155,0.00000905,-0.00001537,-0.0000
 4212,-0.00057127,-0.00182962,0.00026471,-0.00199605,0.00113811,-0.0006
 5859,0.00115093,-0.00095825,0.00005927,0.00047558,-0.00002698,0.000560
 72,-0.00031515,-0.00208188,0.13568470,0.23757853,-0.00625735,-0.009409
 70,0.00612380,-0.00432658,0.00234989,0.00453563,0.03270195,0.06571730,
 -0.06387268,0.01142345,0.01446885,-0.00055871,-0.00337414,0.00444450,0
 .00201693,-0.00057784,-0.00007972,-0.00075603,-0.00000182,-0.00045878,
 0.00028834,-0.00002006,0.00002363,0.00000086,0.00007821,0.00000907,0.0
 0003826,0.00000678,0.00000693,-0.00003373,0.00177710,-0.00124692,-0.00
 166525,-0.00016474,0.00046004,0.00087629,0.00018902,-0.00012886,-0.000
 52402,0.00002576,-0.00034617,-0.00040266,0.00153443,-0.00182346,-0.002
 34968,-0.03305290,-0.07383345,0.05764631,-0.00086305,-0.00062492,0.000
 18625,-0.00414250,-0.00257994,-0.00293264,-0.00081563,-0.00389195,-0.0
 0034971,0.00842601,-0.01285707,0.00923048,-0.09471779,0.07233312,-0.06
 472373,-0.00717184,0.02364738,-0.01700125,0.00011313,0.00105449,-0.000
 74188,-0.00000931,-0.00006900,-0.00018407,-0.00001558,-0.00001116,0.00
 003567,-0.00004483,0.00004067,0.00000761,0.00092975,-0.00068009,0.0021
 4765,-0.00029821,-0.00041449,0.00007663,0.00007461,0.00018089,-0.00005
 579,0.00006261,0.00007623,-0.00004875,-0.00007000,0.00027085,0.0002532
 9,0.00043001,-0.00073816,0.00042471,0.09800273,-0.00075453,-0.00006218
 ,-0.00060947,-0.00187455,0.00308781,0.00172651,-0.00470878,-0.00182525
 ,0.00251243,0.01118059,-0.01511326,0.01496038,0.07125707,-0.20099641,0
 .12183147,-0.00176594,0.00467138,-0.00209378,-0.00009239,0.00011283,-0
 .00003819,-0.00003205,0.00001507,0.00006626,0.00000797,-0.00001616,-0.
 00002133,0.00006704,-0.00000062,0.00001888,0.00267713,-0.00052939,-0.0
 0108822,-0.00001193,0.00024866,0.00035911,0.00019789,0.00025365,-0.000
 43298,0.00002372,0.00000713,-0.00009177,0.00024635,-0.00025342,-0.0003
 7526,0.00062932,-0.00067022,0.00093625,-0.07657635,0.21075280,0.000151
 69,-0.00056698,-0.00016310,-0.00379638,0.00175232,0.00513357,0.0000911
 1,0.00280230,0.00431123,-0.00448951,0.00563487,-0.00145115,-0.06413382
 ,0.12189289,-0.12917403,-0.00251003,0.00788371,-0.00334611,0.00026575,
 0.00051156,-0.00008182,-0.00001544,-0.00003109,-0.00004688,-0.00000560
 ,-0.00003212,0.00000120,0.00004632,0.00001970,0.00003395,0.00091816,-0
 .00217549,-0.00259230,0.00015350,0.00077973,0.00069172,0.00003491,-0.0
 0021474,-0.00016123,0.00002929,-0.00044272,-0.00024718,0.00025812,-0.0
 0042002,-0.00078842,-0.00033586,0.00035175,0.00012722,0.07237556,-0.13
 523430,0.12960891,0.00048734,0.00147593,-0.00316949,0.00931813,0.00953
 626,-0.00320148,-0.00057209,0.00073532,-0.00036833,-0.00365310,-0.0001
 6348,-0.00425308,-0.01259186,-0.02516252,0.00861981,-0.13796676,-0.123
 78663,0.02881960,0.00015878,0.00134467,0.00118989,-0.00008642,0.000108
 39,-0.00026212,-0.00002903,-0.00002327,0.00001951,-0.00012850,0.000386
 44,0.00024478,-0.00047819,-0.00106658,0.00054732,0.00013555,-0.0001272
 3,-0.00066371,-0.00007549,-0.00007087,0.00025100,-0.00009465,0.0001690
 4,0.00019125,0.00046960,0.00056083,-0.00022299,-0.00009841,0.00009562,
 0.00034815,0.00053688,0.00101314,0.00112164,0.14493876,0.00217351,-0.0
 0070070,0.00475888,-0.01500756,-0.01532504,0.00467158,0.00085105,0.000
 08403,-0.00008347,-0.00081043,0.00331587,0.00196382,0.00031742,0.00123
 027,0.00085163,-0.12283737,-0.23010686,0.06079941,-0.00025864,-0.00011
 937,-0.00264367,0.00044954,-0.00012510,0.00066154,-0.00005498,0.000015
 01,-0.00010338,-0.00015316,0.00003192,0.00028182,0.00004494,-0.0000257
 7,0.00011896,0.00010651,-0.00000821,-0.00018992,-0.00008499,-0.0000542
 8,0.00007718,-0.00006045,0.00006420,0.00005936,-0.00077506,-0.00078634
 ,0.00039063,0.00008643,-0.00028001,-0.00044133,0.00037883,-0.00015029,
 -0.00191825,0.13500837,0.24213098,-0.00339309,0.00469800,0.00218569,0.
 00985671,0.01474510,-0.00085401,-0.00040587,-0.00013797,-0.00070714,-0
 .00383845,0.00247356,0.00452658,-0.00613430,-0.00959323,0.00528341,0.0
 2886207,0.06067143,-0.05864609,0.00275514,-0.00061093,-0.00187945,0.00
 010923,-0.00008815,0.00063565,0.00011903,0.00005627,-0.00009240,0.0000
 9827,0.00005353,-0.00011967,-0.00048033,-0.00026484,0.00023239,0.00001
 343,0.00010611,-0.00022017,-0.00002799,-0.00013223,0.00008715,-0.00001
 366,0.00001399,0.00000171,0.00053828,0.00080295,0.00003624,0.00034916,
 -0.00049065,-0.00072156,0.00145317,-0.00164064,-0.00229230,-0.02929218
 ,-0.06915629,0.05293322,-0.00450090,0.00079356,-0.00318156,-0.01187893
 ,-0.03156132,-0.00371377,-0.00081895,-0.00061581,0.00113557,0.00011546
 ,-0.00002664,-0.00009046,-0.00020733,0.00010763,0.00028486,0.00111687,
 -0.00106780,0.00175498,-0.05978769,-0.05928191,-0.01023550,0.00388742,
 0.02235598,0.00383053,-0.00296790,0.00123754,0.00313860,0.00065387,0.0
 0024223,-0.00089765,0.00004104,-0.00001847,-0.00004748,0.00012239,-0.0
 0008264,-0.00016199,-0.00008146,0.00002473,0.00004506,-0.00005871,0.00
 009268,0.00008467,0.00018224,-0.00006853,-0.00030395,-0.00041756,0.000
 00202,-0.00006416,0.00002458,0.00001842,-0.00001018,0.00035260,0.00068
 099,-0.00065285,0.07324598,-0.00082296,0.00025481,-0.00075812,-0.00088
 527,-0.00169466,0.00070030,0.00046184,-0.00020212,0.00039362,0.0001981
 2,0.00058474,-0.00019322,-0.00092223,0.00025674,0.00007142,0.00182248,
 0.00059438,0.00134128,-0.06134084,-0.28217971,-0.02933935,-0.00238159,
 -0.01518495,-0.00205213,0.00320820,0.00058188,-0.00184115,-0.00075772,
 0.00053645,0.00087621,0.00005123,-0.00003703,-0.00011970,0.00009373,-0
 .00006651,-0.00006631,-0.00003602,0.00002666,0.00001960,-0.00003678,0.
 00006158,0.00004983,0.00018995,0.00020923,-0.00011576,-0.00004566,-0.0
 0002604,-0.00006537,-0.00004087,-0.00002922,-0.00006406,0.00001874,0.0
 0028269,-0.00081208,0.06397260,0.30837337,-0.00150852,0.00057013,-0.00
 037683,-0.00226300,-0.01040524,-0.00137032,0.00024079,-0.00032512,0.00
 061777,-0.00005977,0.00015253,-0.00020604,0.00011332,-0.00012716,-0.00
 004655,-0.00020369,-0.00068752,0.00067646,-0.01045051,-0.02758929,-0.0
 5299519,-0.00361541,-0.02163332,-0.00469384,0.00341786,-0.00045878,-0.
 00221200,-0.00093664,-0.00110245,0.00096801,0.00001163,0.00000385,0.00
 006077,-0.00000017,0.00002945,-0.00006037,-0.00001337,-0.00002111,0.00
 002559,-0.00001821,0.00000731,0.00001338,-0.00008183,-0.00033026,0.000
 13355,-0.00008692,-0.00001823,-0.00007531,0.00002344,-0.00000371,-0.00
 000318,-0.00009996,0.00044790,-0.00012698,0.00858475,0.03358487,0.0537
 2654,0.00107855,0.00178498,-0.00007781,-0.00599387,0.01570939,-0.02946
 956,0.00002324,0.00017641,0.00016994,0.00007587,0.00003714,-0.00014210
 ,-0.00062275,0.00137999,0.00010715,-0.00473759,-0.00207913,-0.00145636
 ,-0.04651817,0.00544650,-0.01766826,0.00004819,-0.00963224,0.02102554,
 0.00056760,-0.00091952,-0.00042294,-0.00296542,0.00264933,0.00232965,-
 0.00001887,-0.00013168,-0.00000291,0.00011647,0.00005796,-0.00020137,-
 0.00005997,-0.00006538,0.00009631,-0.00005240,0.00003283,0.00007110,0.
 00015248,-0.00082437,0.00029862,0.00003196,-0.00001809,0.00002044,-0.0
 0042939,0.00005035,-0.00006892,0.00013689,-0.00017709,-0.00026336,0.00
 008851,-0.00310198,0.00731657,0.05840297,-0.00125082,0.00020492,-0.000
 96445,0.00106617,0.00023824,-0.00198767,0.00065789,-0.00007767,-0.0002
 2273,-0.00014067,0.00011542,-0.00019967,0.00010674,0.00008545,0.000031
 38,0.00005290,0.00044720,0.00051797,0.00620863,-0.10138983,0.10296432,
 -0.00017520,0.00497152,-0.01371318,-0.00021855,0.00116706,-0.00080169,
 0.00166297,-0.00100390,-0.00138412,-0.00001129,0.00006852,0.00008204,-
 0.00006684,0.00005429,0.00003679,0.00003056,-0.00001393,-0.00002114,0.
 00001231,-0.00002991,-0.00002876,-0.00010989,0.00037001,0.00030351,0.0
 0002851,0.00000855,0.00002806,0.00003338,-0.00001878,0.00000054,-0.000
 10898,0.00042289,-0.00019537,0.00253552,-0.01344414,0.02758354,-0.0098
 7207,0.10643471,0.00161664,0.00112904,0.00106267,-0.00128469,0.0055774
 2,-0.00909956,-0.00070869,0.00008774,0.00008772,0.00001930,-0.00053468
 ,0.00030307,0.00058381,0.00077769,0.00017194,-0.00214016,-0.00091324,-
 0.00035697,-0.01975337,0.10145007,-0.24703571,0.00019810,0.00926226,-0
 .02098337,-0.00092122,0.00123714,0.00042266,0.00385199,-0.00297075,-0.
 00063500,0.00000186,-0.00013917,-0.00001316,0.00010722,0.00004352,-0.0
 0015264,-0.00005275,-0.00005642,0.00008082,-0.00004275,0.00002481,0.00
 005180,-0.00019086,-0.00095902,0.00001186,-0.00001488,-0.00002592,-0.0
 0005290,-0.00014061,-0.00003449,-0.00009776,0.00012536,-0.00005823,-0.
 00003240,0.00080997,-0.00131195,0.00465442,0.01791878,-0.11231670,0.27
 040460,-0.00016081,0.00000522,-0.00029471,-0.00021393,0.00239347,0.004
 17274,-0.00000009,-0.00010676,-0.00026932,-0.00005541,0.00005533,0.000
 06664,-0.00000653,-0.00016571,-0.00026222,-0.00024669,-0.00024002,-0.0
 0017890,-0.02477785,-0.00130375,-0.00781936,-0.23999868,-0.03015038,-0
 .09813266,-0.00419954,-0.00157986,-0.00205738,0.00123822,0.00037627,0.
 00052895,-0.00002753,-0.00006223,0.00005418,0.00018783,0.00000674,-0.0
 0026077,-0.00010875,-0.00006514,0.00011488,-0.00009328,0.00008010,0.00
 009492,-0.00003855,0.00002019,0.00013600,-0.00004084,-0.00002432,-0.00
 001530,-0.00005493,0.00001527,-0.00004384,-0.00002884,0.00012881,0.000
 09804,0.00086171,0.00046643,-0.00043079,0.00063406,-0.00076160,0.00016
 021,0.26288460,0.00036855,-0.00010209,0.00036577,0.00096501,-0.0004915
 2,-0.00236549,0.00002010,0.00021647,0.00012586,0.00005658,-0.00002714,
 -0.00001986,-0.00004428,0.00005145,0.00007571,0.00002760,0.00005919,0.
 00021423,0.01447767,0.00044910,0.00430080,-0.03006037,-0.05136641,-0.0
 1440117,-0.03093561,-0.00918444,-0.01594462,0.01402092,0.00133714,0.00
 890804,0.00000388,0.00002138,-0.00002227,-0.00004343,-0.00002584,0.000
 06892,0.00002597,0.00003462,-0.00003214,0.00001906,-0.00000768,-0.0000
 1872,0.00003102,0.00002569,-0.00019414,0.00006095,0.00000525,-0.000003
 34,0.00002101,-0.00000144,0.00001619,0.00000474,-0.00003186,-0.0000375
 1,0.00001110,0.00041339,0.00074901,-0.00067380,0.00039038,0.00018200,0
 .03169630,0.06232219,0.00023724,0.00010314,0.00037279,0.00153611,-0.00
 204795,-0.00255676,-0.00003657,0.00016678,0.00011102,0.00009493,-0.000
 03040,-0.00001990,-0.00004175,-0.00001507,0.00029456,0.00046787,0.0003
 2437,0.00029726,0.02132774,0.00083539,0.00608799,-0.09794016,-0.014409
 70,-0.09535720,-0.00339773,-0.00126754,-0.00171314,-0.02717308,-0.0023
 2137,-0.01767754,-0.00000252,0.00001707,-0.00002307,-0.00003376,-0.000
 01529,0.00006092,0.00002098,0.00002637,-0.00002486,0.00001698,-0.00001
 147,-0.00001600,0.00001882,0.00000408,-0.00014748,0.00005218,0.0000069
 7,0.00000469,0.00007703,-0.00002150,0.00001693,0.00000458,-0.00020976,
 -0.00010615,-0.00066094,0.00044475,0.00081713,-0.00028290,0.00056567,0
 .00106453,0.10381683,0.01644764,0.11042829,-0.00000426,0.00032201,-0.0
 0033789,-0.00003453,-0.00005996,0.00001711,0.00003780,-0.00014367,0.00
 003554,0.00001118,-0.00000901,0.00003249,0.00006849,-0.00003944,0.0000
 3068,-0.00003965,-0.00002420,0.00005432,0.00026706,0.00047670,-0.00058
 690,-0.00160133,-0.00200121,0.00481297,-0.04754418,-0.00062713,0.00139
 692,0.00020378,-0.00092354,-0.00029338,-0.00000828,-0.00001324,0.00001
 326,-0.00002917,0.00002198,0.00002038,0.00002204,-0.00000429,-0.000000
 78,0.00001452,-0.00001791,-0.00000958,-0.00028845,-0.00001248,0.000285
 18,-0.00000964,-0.00000245,-0.00002546,0.00000473,-0.00000976,0.000000
 38,0.00000049,-0.00002074,0.00001835,-0.00009971,-0.00005677,0.0000245
 5,0.00014347,0.00008718,0.00001533,0.00002315,0.00023157,0.00042138,0.
 04637087,0.00002301,-0.00022125,0.00017372,0.00010693,-0.00004897,-0.0
 0018878,0.00003661,0.00010315,-0.00004269,-0.00001272,0.00001098,-0.00
 002188,-0.00005772,0.00005301,-0.00004016,-0.00008472,-0.00008667,-0.0
 0004243,-0.00012768,0.00136689,0.00159899,0.00077513,-0.01450931,0.030
 42822,-0.00068323,-0.10022938,0.10323083,-0.00107180,-0.00655334,-0.00
 273510,0.00000269,0.00001234,-0.00000390,0.00001275,-0.00000974,-0.000
 00703,-0.00001014,0.00000271,-0.00000275,-0.00000863,0.00000837,0.0000
 0193,0.00020961,0.00013090,-0.00009230,-0.00000442,0.00000163,0.000007
 72,-0.00001880,0.00000607,-0.00000308,-0.00002309,0.00006988,0.0000178
 7,-0.00037133,0.00040813,-0.00020522,0.00036040,-0.00006230,-0.0010323
 1,-0.00033094,0.00126955,-0.00026353,0.00164164,0.11084818,0.00003459,
 0.00039066,-0.00041660,0.00007919,0.00002608,0.00008486,0.00001778,-0.
 00015009,0.00008531,0.00001898,0.00002317,0.00002728,0.00002451,-0.000
 05088,0.00005672,-0.00001747,-0.00001739,0.00007642,-0.00004119,-0.000
 32782,0.00056552,0.00037023,-0.00251375,0.00348853,0.00120026,0.104895
 27,-0.25166669,0.00029587,-0.00025520,0.00110783,-0.00000705,-0.000035
 28,0.00001178,0.00003853,0.00004392,-0.00005476,-0.00001847,-0.0000367
 8,0.00004046,-0.00001320,-0.00000743,0.00001483,0.00006987,-0.00018442
 ,0.00026421,-0.00002283,-0.00000244,-0.00002035,0.00000533,-0.00001026
 ,-0.00000975,0.00001333,-0.00005614,-0.00000061,-0.00006955,0.00003881
 ,0.00025777,-0.00027512,0.00012968,0.00039152,0.00036179,0.00061092,0.
 00051194,-0.00221295,-0.11537555,0.27316799,-0.00086206,0.00036056,0.0
 0064695,-0.00015071,0.00077427,0.00020305,-0.00004423,0.00006611,0.000
 15645,0.00005037,0.00004829,-0.00007318,-0.00010426,-0.00003150,-0.000
 03107,0.00021622,-0.00011810,0.00024615,-0.00002378,0.00009584,0.00044
 271,-0.00421317,-0.00230767,-0.00236146,-0.24222242,-0.04136117,-0.104
 66645,0.00032166,0.00045805,-0.00009728,0.00000629,0.00000689,-0.00001
 577,-0.00000556,-0.00003057,0.00002309,0.00000994,0.00002398,-0.000005
 94,0.00000320,0.00001023,0.00000394,-0.00022810,0.00022883,0.00003188,
 0.00003022,-0.00000295,-0.00002243,0.00001140,-0.00001292,0.00000233,0
 .00000160,-0.00001653,-0.00002021,0.00003022,-0.00014195,-0.00008214,-
 0.00000217,-0.00001660,0.00002760,0.00118288,-0.00087664,0.00031173,0.
 00125970,0.00092903,0.00085633,0.26458642,0.00046229,0.00003440,-0.000
 15867,0.00041625,-0.00015718,-0.00040481,0.00017621,0.00001547,0.00007
 229,0.00005739,0.00010426,-0.00004158,-0.00011461,-0.00004962,-0.00000
 833,0.00016008,-0.00011266,0.00022942,-0.00041430,0.00123044,0.0002270
 2,-0.03100818,-0.00688583,-0.01574597,-0.04009772,-0.05556715,-0.02063
 547,-0.00043464,0.00190752,-0.00124430,-0.00000027,-0.00001358,0.00002
 283,0.00007403,0.00003031,-0.00009418,-0.00004610,-0.00004264,0.000044
 47,-0.00003368,0.00001207,0.00002663,0.00003028,0.00000239,0.00005967,
 -0.00002188,-0.00000285,0.00001506,-0.00000276,0.00000084,-0.00001336,
 -0.00001237,0.00001910,-0.00002289,0.00007786,0.00019933,0.00027461,0.
 00006836,-0.00010591,-0.00001312,-0.00081615,-0.00672992,-0.00072927,0
 .01351506,0.00234594,0.00599532,0.04638540,0.06183724,-0.00002433,-0.0
 0007726,0.00034916,-0.00032438,-0.00009303,-0.00010196,0.00028083,0.00
 014946,0.00025820,0.00009666,0.00017921,-0.00013347,-0.00027902,-0.000
 02388,-0.00014648,0.00028839,-0.00017306,0.00017540,-0.00066195,0.0000
 6471,-0.00004239,-0.00339989,-0.00116647,-0.00292270,-0.10341442,-0.02
 147121,-0.10289921,0.00109391,0.00029398,0.00065547,0.00001638,0.00001
 322,-0.00000257,0.00009039,-0.00003925,-0.00009138,-0.00006129,-0.0000
 0373,0.00002977,-0.00004556,0.00004882,0.00003895,0.00012356,0.0000283
 3,-0.00063718,0.00002688,-0.00000745,0.00000526,-0.00001538,0.00002197
 ,0.00000414,-0.00000183,0.00007264,-0.00003819,0.00016694,0.00001501,0
 .00008298,-0.00003400,0.00002221,0.00004546,0.00035111,-0.00078869,0.0
 0078071,-0.02535598,-0.00562009,-0.01311882,0.11501105,0.02460597,0.10
 814495,-0.00021550,0.00005115,0.00019625,0.00007255,-0.00005054,0.0000
 5041,0.00018952,0.00009531,0.00019560,0.00008674,0.00013129,-0.0000743
 6,-0.00019420,-0.00002514,-0.00008353,0.00017574,-0.00014209,0.0001422
 3,0.00068599,-0.00117772,-0.00032681,0.00357772,-0.00299332,-0.0033455
 2,-0.18972221,0.07529425,0.10586925,0.00004145,-0.00020025,-0.00012959
 ,0.00001061,-0.00000365,0.00000387,0.00009457,-0.00000191,-0.00009863,
 -0.00006397,-0.00002778,0.00003863,-0.00004535,0.00003077,0.00003194,0
 .00000547,0.00011055,-0.00027361,0.00000091,-0.00000834,0.00000462,-0.
 00001782,0.00001503,-0.00000783,0.00000587,0.00003606,-0.00001771,0.00
 015059,-0.00016806,-0.00008922,-0.00006323,-0.00004917,0.00005789,0.00
 084038,0.00053399,-0.00010139,0.00024146,-0.00108588,-0.00053292,-0.02
 022545,0.01060571,0.01615286,0.20405019,-0.00015611,-0.00010425,0.0003
 5159,-0.00115172,0.00013066,-0.00020705,0.00013406,0.00007608,0.000063
 88,0.00005651,0.00010574,-0.00008818,-0.00016547,-0.00003697,-0.000017
 24,0.00029152,-0.00000628,0.00023421,-0.00214752,-0.00631450,0.0005034
 2,0.02559197,-0.01348902,-0.01805003,0.07374901,-0.08457276,-0.0538575
 6,0.00091704,0.00135554,-0.00109036,0.00000636,0.00002744,-0.00002048,
 -0.00003326,-0.00002374,0.00005305,0.00002141,0.00002547,-0.00002398,0
 .00001846,-0.00000523,-0.00001108,-0.00000162,0.00008623,-0.00019130,0
 .00002947,0.00000555,0.00000842,0.00002149,-0.00000739,0.00001208,-0.0
 0000409,0.00000095,-0.00006333,0.00136098,-0.00099112,-0.00131020,-0.0
 0020829,0.00027124,0.00002094,-0.00030692,0.00143915,-0.00007964,-0.01
 191413,0.00583250,0.00732271,-0.00401395,0.00178119,0.00416578,-0.0812
 1627,0.09423777,0.00004545,0.00027400,-0.00018810,-0.00031145,0.000089
 57,0.00004081,0.00001992,-0.00006767,0.00011932,0.00005091,0.00003326,
 0.00000490,-0.00003689,-0.00001827,-0.00001569,0.00015172,-0.00002898,
 0.00016158,-0.00090217,-0.00103353,0.00039932,0.00256049,-0.00150404,-
 0.00370316,0.10590927,-0.05478454,-0.12544493,-0.00047554,0.00073683,0
 .00050263,0.00000647,0.00000096,-0.00000827,-0.00004223,-0.00000350,0.
 00005086,0.00002901,0.00001500,-0.00001994,0.00002228,-0.00001438,-0.0
 0001518,-0.00008879,-0.00009307,0.00005809,0.00000995,0.00000173,-0.00
 001367,0.00001379,-0.00000783,0.00000742,0.00000414,0.00000399,-0.0000
 2250,0.00043767,-0.00039183,0.00009701,-0.00018233,0.00013982,0.000502
 36,-0.00011574,-0.00004432,-0.00016117,0.02149146,-0.01143145,-0.01534
 269,-0.01116114,0.00673612,0.00914433,-0.11720633,0.06138451,0.1334388
 4,0.00024813,0.00020238,0.00003689,-0.00038929,-0.00012930,0.00077860,
 -0.00010611,-0.00000097,-0.00005157,0.00003993,-0.00010778,0.00000411,
 -0.00002683,0.00011275,0.00014249,-0.00089072,0.00053900,0.00058998,0.
 00004399,0.00039299,0.00013423,0.00133572,0.00058970,-0.00066649,0.000
 49117,-0.00000165,0.00026545,-0.23932420,-0.02927561,-0.11051873,0.000
 00341,0.00000286,-0.00001538,-0.00000356,-0.00001341,0.00002458,0.0000
 0736,0.00001478,-0.00000459,0.00000688,0.00000090,0.00000020,0.0000035
 3,-0.00001109,-0.00002040,0.00000970,0.00000672,-0.00000447,0.00003421
 ,-0.00002362,-0.00000535,-0.00025340,-0.00012264,0.00013115,-0.0000153
 6,0.00002839,0.00002300,0.00005112,-0.00001522,-0.00020813,0.00130686,
 0.00003516,0.00064709,0.00021320,0.00014403,0.00010069,0.00020229,0.00
 051886,-0.00017900,-0.00013396,-0.00001475,-0.00007029,0.26100508,0.00
 012753,0.00000029,-0.00005756,-0.00038604,0.00022810,-0.00010962,-0.00
 016946,-0.00006287,-0.00006109,0.00001603,-0.00012380,0.00004723,0.000
 15938,0.00004477,0.00017831,-0.00008707,0.00028570,0.00002853,-0.00022
 143,0.00018643,-0.00071253,0.01414371,0.00101745,0.00755021,0.00133768
 ,0.00125763,0.00008664,-0.02889118,-0.05218566,-0.01667636,-0.00000495
 ,-0.00001708,0.00000883,0.00004942,0.00001721,-0.00005084,-0.00003206,
 -0.00002862,0.00002509,-0.00001762,0.00000290,0.00001216,-0.00000692,-
 0.00004094,0.00003629,-0.00001012,0.00000246,0.00001995,0.00002258,-0.
 00000168,-0.00000392,0.00006712,-0.00045789,-0.00031111,-0.00007090,0.
 00000371,0.00007840,0.00009578,-0.00003079,-0.00008074,0.00003245,-0.0
 0091635,0.00313697,-0.00019457,0.00015055,-0.00026826,-0.00043961,-0.0
 0006495,-0.00005732,0.00005651,-0.00006395,0.00001016,0.03132479,0.052
 98060,0.00037254,0.00031238,0.00003875,0.00010001,-0.00030321,-0.00022
 600,-0.00024447,0.00000909,-0.00012853,0.00005635,-0.00022638,0.000111
 75,0.00030237,0.00007494,0.00023924,0.00027501,0.00003346,0.00014219,-
 0.00085901,-0.00025544,0.00083246,-0.02757736,-0.00375453,-0.01648194,
 -0.00012499,-0.00155602,0.00113073,-0.10864289,-0.01616572,-0.10884135
 ,-0.00000418,-0.00003690,0.00002713,0.00011334,-0.00000021,-0.00013232
 ,-0.00006956,-0.00003485,0.00005519,-0.00005393,0.00004090,0.00004494,
 -0.00002453,-0.00006090,0.00002066,-0.00000214,-0.00000520,0.00000521,
 -0.00000943,0.00002079,-0.00000720,0.00005231,-0.00026868,-0.00011980,
 0.00005573,0.00004984,-0.00005062,0.00015384,0.00010638,0.00029267,0.0
 0074299,0.00318071,-0.00516599,0.00034651,-0.00020510,0.00013046,0.000
 42682,0.00077049,0.00046517,0.00010125,0.00009471,-0.00000174,0.121523
 28,0.01569537,0.12038928,-0.00002046,0.00006001,0.00002990,-0.00002980
 ,0.00008911,-0.00001535,0.00009722,0.00004608,-0.00001228,0.00002144,0
 .00004265,0.00000338,0.00005294,0.00012354,-0.00011420,-0.00010211,-0.
 00052986,0.00009887,0.00015696,-0.00083278,-0.00023540,-0.00175548,-0.
 00033902,-0.00007809,0.00039854,0.00004505,0.00044146,-0.05448646,-0.0
 4122152,-0.00470402,0.00000362,0.00002191,-0.00000474,-0.00003270,-0.0
 0001659,0.00003333,0.00002295,0.00002191,-0.00001657,0.00001131,0.0000
 0140,-0.00000549,0.00001433,0.00003155,-0.00002294,0.00000611,0.000002
 46,-0.00000829,-0.00000784,-0.00002055,-0.00001561,-0.00025083,0.00033
 980,0.00011251,0.00004928,0.00013899,0.00021043,-0.00000470,0.00014470
 ,-0.00005956,0.00015699,0.00037075,0.00033882,0.00057362,-0.00014529,-
 0.00007374,0.00027172,0.00041753,0.00003071,0.00015511,-0.00036866,-0.
 00018443,-0.00376748,-0.02807412,-0.00265351,0.05377032,0.00003895,0.0
 0003319,0.00008088,0.00001780,0.00010927,0.00014048,0.00005602,0.00007
 813,-0.00001617,0.00001855,0.00001678,0.00002108,0.00001560,0.00015183
 ,-0.00007929,-0.00008214,-0.00051440,0.00010759,0.00015410,0.00034553,
 -0.00104432,-0.00229474,-0.01492608,-0.00284352,0.00037474,0.00004053,
 0.00427423,-0.04152850,-0.29404818,-0.02837417,0.00001147,0.00000280,-
 0.00001253,0.00001708,-0.00004277,-0.00001575,-0.00000560,0.00002490,-
 0.00000019,-0.00001488,0.00003338,0.00001836,0.00003648,0.00002782,-0.
 00007127,0.00001446,-0.00000346,-0.00001005,-0.00001450,-0.00000845,-0
 .00001306,0.00005513,0.00029629,-0.00005880,-0.00036909,0.00073616,0.0
 0052916,0.00021763,0.00032700,0.00004832,0.00054722,0.00042846,0.00014
 402,-0.00030028,-0.00112350,0.00000360,0.00003352,0.00027588,-0.000140
 03,-0.00001466,0.00042453,-0.00008690,-0.00056890,-0.00338610,-0.00076
 620,0.04547128,0.32219130,-0.00006702,0.00007210,-0.00007045,0.0001231
 8,-0.00009874,-0.00007106,-0.00002717,-0.00000296,0.00000752,-0.000002
 52,-0.00000895,0.00001346,0.00004552,0.00000847,0.00000755,0.00001639,
 -0.00013700,-0.00001116,-0.00012532,0.00080455,0.00166888,0.00585964,0
 .02992262,0.00405324,0.00017447,0.00173215,-0.00568740,-0.00515126,-0.
 02996861,-0.05071226,-0.00000114,-0.00001298,0.00000552,0.00002419,0.0
 0000129,-0.00002975,-0.00001355,-0.00000636,0.00001380,-0.00001380,0.0
 0001057,0.00001032,-0.00001491,0.00000236,0.00002846,-0.00001055,-0.00
 000231,-0.00000757,-0.00001916,-0.00000015,-0.00000822,0.00017826,0.00
 005249,0.00007022,0.00008701,-0.00057730,-0.00030469,-0.00041546,-0.00
 014329,0.00024274,-0.00031958,-0.00064391,0.00121673,0.00024610,0.0019
 8676,0.00017461,0.00019263,-0.00006582,-0.00005064,-0.00027697,-0.0000
 4422,0.00001560,-0.00126879,-0.01565611,-0.00235769,0.00487804,0.02972
 916,0.05425708,0.00017240,0.00015133,-0.00004131,0.00026012,0.00006458
 ,0.00003244,-0.00016627,-0.00002138,-0.00008191,0.00005047,-0.00013154
 ,0.00007943,0.00017647,0.00009405,0.00018672,-0.00018608,0.00005758,0.
 00012822,0.00092713,-0.00043070,-0.00019419,-0.00080783,0.00021775,-0.
 00080313,-0.00009439,0.00032176,-0.00024644,-0.18989458,0.07359596,0.1
 0646113,0.00000095,-0.00003226,0.00001605,0.00009740,0.00001163,-0.000
 10679,-0.00006264,-0.00003703,0.00004434,-0.00004608,0.00002644,0.0000
 3106,-0.00000081,-0.00002633,0.00002582,-0.00001307,-0.00000633,0.0000
 0587,-0.00001220,0.00001156,-0.00001476,-0.00003625,-0.00022729,-0.000
 06188,-0.00001525,0.00013741,-0.00001669,-0.00003550,0.00015633,0.0000
 6390,0.00079157,-0.00037578,0.00024093,0.00018882,-0.00020032,-0.00020
 721,-0.00013466,0.00005747,0.00008774,0.00031605,-0.00051193,0.0000164
 1,-0.02011269,0.01118233,0.01566962,0.00468255,-0.00188486,-0.00409783
 ,0.20397621,-0.00006205,-0.00000533,-0.00000830,0.00034340,0.00004120,
 0.00012145,0.00009053,-0.00001425,0.00002234,0.00001244,0.00008763,-0.
 00001392,-0.00007200,0.00009953,-0.00008811,0.00007552,-0.00047849,0.0
 0002736,-0.00022413,-0.00138298,0.00233237,-0.01230558,0.00467803,0.00
 806305,-0.00075546,0.00104449,0.00041247,0.07457618,-0.08583613,-0.055
 74810,0.00000958,0.00001689,-0.00001046,-0.00003499,0.00000328,0.00003
 917,0.00002239,0.00000890,-0.00001677,0.00001700,-0.00001254,-0.000012
 48,0.00000713,0.00001583,0.00000740,0.00000103,0.00000158,-0.00000404,
 -0.00000429,-0.00001396,-0.00000678,-0.00002826,0.00025262,-0.00001235
 ,0.00001448,0.00034351,0.00019899,-0.00034224,0.00060252,0.00059044,0.
 00007243,0.00043114,-0.00079144,0.00007628,0.00022366,-0.00019363,-0.0
 0003756,-0.00007111,-0.00001396,0.00020159,-0.00017843,0.00008703,-0.0
 0362477,0.00120295,0.00324363,0.02417864,-0.01148827,-0.01695689,-0.08
 220715,0.09042797,0.00036730,0.00020133,0.00016935,-0.00114611,0.00000
 754,-0.00006479,-0.00016412,0.00003680,-0.00006987,0.00005347,-0.00015
 239,0.00007150,0.00014866,0.00007096,0.00011617,-0.00011567,0.00014661
 ,0.00017033,-0.00101266,0.00404369,-0.00478622,0.02299036,-0.01199963,
 -0.01746463,0.00015180,-0.00141664,0.00094073,0.10538403,-0.05470255,-
 0.12397541,0.00000190,0.00000726,-0.00001578,-0.00003814,-0.00001556,0
 .00005852,0.00002685,0.00002252,-0.00002428,0.00002321,-0.00001153,-0.
 00001493,-0.00000788,-0.00005833,-0.00003121,0.00002139,0.00000883,0.0
 0000245,0.00003211,-0.00001019,0.00000844,-0.00006832,-0.00013245,-0.0
 0006642,-0.00029782,0.00014079,0.00038448,0.00144427,-0.00055706,-0.00
 130879,-0.00046951,-0.00074081,0.00089421,-0.00044323,-0.00013377,0.00
 018014,-0.00004730,0.00010545,0.00000756,-0.00027818,0.00083565,0.0003
 9012,-0.01138185,0.00713653,0.00959717,0.00202343,-0.00156056,-0.00247
 178,-0.11721205,0.05872973,0.13730132,0.00027003,0.00129455,-0.0008240
 6,0.00010985,-0.00023246,0.00016315,-0.00543191,-0.00213275,-0.0011998
 0,-0.01060976,0.02697568,-0.01763731,0.00145892,0.00208485,-0.00074953
 ,-0.00019110,-0.00002206,-0.00000940,-0.00001360,-0.00008146,0.0000465
 2,0.00001099,-0.00000190,-0.00001654,-0.00000261,0.00000662,0.00000286
 ,-0.00000776,0.00000489,-0.00000525,-0.05721194,0.04785775,-0.02394346
 ,0.00577870,-0.02055270,0.01085418,-0.00489119,-0.00075490,0.00374194,
 -0.00072640,0.00044780,-0.00023129,-0.00042413,-0.00001817,-0.00014398
 ,0.00010329,0.00003610,0.00016712,-0.00018068,-0.00110292,0.00048920,0
 .00004563,0.00002173,0.00005918,-0.00003236,-0.00001115,-0.00000581,0.
 00001804,-0.00001424,0.00001867,-0.00000631,-0.00000048,0.00000473,0.0
 0000669,-0.00000720,0.00000846,0.00000481,-0.00000129,-0.00001004,-0.0
 0000641,-0.00000046,0.00000422,0.00000396,0.00000789,-0.00000219,-0.00
 000521,-0.00000754,-0.00000162,0.00000015,-0.00000242,0.00000326,0.070
 11411,-0.00029757,-0.00004208,-0.00003030,-0.00008112,0.00018034,-0.00
 011846,-0.00054402,0.00060525,-0.00005938,-0.00009345,0.00105432,-0.00
 033001,-0.00243573,0.00045430,-0.00112582,0.00029226,0.00023214,-0.000
 05671,-0.00001223,0.00002360,-0.00003676,-0.00000262,-0.00000093,0.000
 01258,-0.00000646,0.00000014,-0.00000788,0.00000422,-0.00000122,-0.000
 00291,0.04910040,-0.23747679,0.10672778,-0.00055814,-0.00645119,0.0021
 5359,0.00000273,0.00174355,0.00115299,0.00127844,0.00092064,-0.0020717
 0,0.00002883,-0.00001877,-0.00005258,-0.00005639,0.00002346,-0.0001249
 7,0.00013011,0.00054235,-0.00010471,0.00003609,-0.00001669,-0.00000096
 ,0.00001045,0.00000615,0.00000544,-0.00000833,-0.00000623,0.00000359,0
 .00000818,0.00000157,-0.00000238,-0.00000239,0.00000205,-0.00000251,0.
 00000097,-0.00000126,0.00000673,0.00000426,-0.00000135,-0.00000180,-0.
 00000140,-0.00000265,0.00000636,-0.00000043,0.00000402,0.00000199,0.00
 000365,-0.00000269,-0.00000176,-0.05000756,0.26088699,0.00017525,0.000
 67707,-0.00008449,0.00005799,-0.00018964,0.00019842,-0.00242736,-0.000
 59511,0.00048668,-0.00471733,0.00966056,-0.00671783,0.00175453,0.00052
 435,0.00033066,-0.00020858,-0.00020208,-0.00017209,-0.00000208,-0.0000
 3801,0.00005623,0.00000189,-0.00000501,-0.00001560,-0.00000430,0.00000
 467,0.00000130,-0.00000033,0.00000658,-0.00000045,-0.02393612,0.101779
 58,-0.10752888,-0.00947200,0.02540957,-0.01159302,0.00587953,0.0003935
 4,-0.00344731,0.00111592,-0.00173115,0.00052867,-0.00013176,-0.0000709
 8,-0.00016919,0.00021548,-0.00015295,-0.00003163,-0.00019780,-0.000473
 63,0.00051612,0.00001763,-0.00001748,-0.00003786,-0.00002199,-0.000005
 30,-0.00000116,0.00001752,0.00000355,0.00000455,-0.00000856,0.00000327
 ,0.00000300,0.00000455,-0.00000282,0.00000270,0.00000309,-0.00000500,-
 0.00000665,-0.00000602,0.00000061,0.00000326,0.00000195,-0.00000156,-0
 .00000392,-0.00000019,-0.00000239,-0.00000062,-0.00000390,-0.00000025,
 0.00000237,0.02774443,-0.11175839,0.11751465,0.00020185,0.00017056,0.0
 0098750,-0.00020019,-0.00058086,-0.00001127,-0.00029641,-0.00087140,-0
 .00048870,-0.00734448,-0.02642240,-0.02213422,-0.00164212,0.00114532,-
 0.00164844,-0.00134698,0.00058770,0.00107470,0.00009059,0.00006926,0.0
 0011519,0.00002173,-0.00008015,-0.00014011,-0.00003749,-0.00001589,0.0
 0003603,-0.00004520,0.00004291,0.00000491,-0.07293662,-0.00869085,-0.0
 0713574,0.00363848,0.01740004,0.01423604,-0.00110394,0.00113324,0.0004
 1172,-0.00383979,0.00078542,0.00459436,0.00002016,0.00003215,-0.000068
 19,-0.00007627,-0.00004863,-0.00035138,0.00022196,-0.00051578,-0.00045
 681,-0.00026418,-0.00005015,-0.00001484,-0.00004567,-0.00004270,-0.000
 00536,-0.00005940,0.00002721,-0.00005846,-0.00007082,0.00002696,0.0000
 3915,0.00001427,-0.00000440,-0.00000228,0.00002567,-0.00002064,-0.0000
 3005,-0.00003131,0.00002230,0.00001184,0.00002106,-0.00001999,-0.00004
 123,0.00002122,0.00000043,-0.00000305,-0.00003800,0.00000939,0.0000182
 8,0.00078813,0.00459992,0.00454786,0.57641493,-0.00069209,-0.00031960,
 -0.00000787,0.00027631,0.00050910,0.00002486,0.00237494,-0.00024841,0.
 00084471,-0.00973776,-0.00220437,-0.00489846,0.00071631,0.00011546,-0.
 00023112,0.00005152,-0.00005571,0.00031130,-0.00000052,-0.00009071,-0.
 00016569,0.00002417,0.00004968,0.00008442,0.00001876,0.00000642,-0.000
 00770,0.00000237,-0.00001924,0.00000020,-0.00481311,-0.14113870,-0.044
 04619,0.00822155,0.00260413,-0.00751845,-0.00128162,-0.00229983,0.0022
 7792,-0.00237638,0.00120716,0.00148083,0.00009554,-0.00005997,-0.00004
 827,0.00004037,-0.00005668,0.00044507,0.00015250,0.00004106,-0.0002154
 5,0.00006447,0.00002310,0.00003820,0.00001884,0.00000382,0.00001189,0.
 00002291,0.00000104,0.00003065,0.00004201,-0.00002009,-0.00001826,0.00
 000210,0.00000089,0.00001134,-0.00001167,0.00001739,-0.00000547,0.0000
 0372,-0.00001286,-0.00000684,-0.00000850,0.00000239,0.00001207,-0.0000
 0158,0.00000041,0.00000601,0.00001030,-0.00000086,-0.00001039,-0.00298
 636,-0.02216506,-0.02101276,-0.00831594,0.50682639,0.00031025,0.000136
 30,0.00047974,0.00005804,-0.00045434,0.00020890,0.00016518,-0.00057289
 ,0.00044744,-0.00973042,-0.01092901,-0.01045418,0.00175907,0.00105872,
 -0.00091601,-0.00055925,0.00012855,-0.00016881,-0.00002072,0.00000442,
 0.00004512,-0.00003038,-0.00000016,0.00001482,0.00002552,0.00000573,-0
 .00000423,0.00004259,-0.00000021,0.00000537,-0.00487117,-0.04475621,-0
 .11603884,0.00164283,-0.02156900,-0.02589656,-0.00094860,-0.00281247,0
 .00225216,0.00259862,-0.00012506,-0.00279767,0.00006342,-0.00000768,-0
 .00000058,-0.00014250,0.00001915,-0.00027592,-0.00008123,-0.00017028,0
 .00022571,-0.00004040,0.00006769,0.00007088,0.00001260,0.00000346,0.00
 000691,0.00002160,0.00000642,-0.00001091,0.00000809,-0.00000003,-0.000
 01222,-0.00001368,0.00000453,-0.00001798,-0.00001011,-0.00000503,0.000
 02527,0.00001198,-0.00000467,-0.00000304,-0.00001592,0.00000944,0.0000
 1044,-0.00001175,-0.00000434,-0.00000647,0.00000864,-0.00000236,-0.000
 00692,0.00194337,0.00966652,0.01072668,-0.01049984,-0.05936152,0.52859
 263,-0.00010714,0.00004010,-0.00007432,-0.00005156,0.00007082,-0.00004
 583,0.00011197,-0.00007774,-0.00010680,0.00080161,-0.00020311,-0.00066
 890,0.00000105,-0.00019422,-0.00004702,0.00007118,-0.00001205,0.000089
 75,-0.00000614,-0.00001656,-0.00004184,-0.00002594,0.00002548,0.000044
 54,0.00000644,-0.00000478,-0.00001956,0.00000609,-0.00001724,-0.000013
 58,0.00475563,0.00340585,0.00203911,-0.00995389,0.00422124,0.01879120,
 -0.00279075,-0.00503462,-0.00448533,-0.17231454,-0.03810311,0.21173122
 ,-0.00000841,0.00000156,0.00001806,-0.00003849,0.00008969,0.00005525,-
 0.00000371,0.00002691,-0.00001798,0.00000769,0.00001999,0.00001612,0.0
 0001132,0.00000482,0.00000761,0.00000502,0.00000366,0.00000654,0.00002
 844,-0.00000681,-0.00000685,-0.00000842,0.00000569,0.00000071,-0.00000
 498,0.00001195,0.00001859,0.00002006,-0.00000845,-0.00001057,-0.000005
 70,0.00000821,0.00001959,-0.00000683,0.00000241,0.00000456,0.00001981,
 -0.00000722,-0.00001116,0.00023650,-0.00053055,-0.00027026,-0.00096057
 ,-0.00050695,0.00062117,0.18016562,-0.00001383,-0.00005191,0.00002980,
 0.00001951,-0.00000843,-0.00002241,-0.00000991,0.00010444,0.00005839,-
 0.00002857,-0.00008556,-0.00007362,0.00001853,0.00003352,0.00000947,-0
 .00001536,-0.00001053,-0.00001658,0.00000966,0.00001386,0.00002747,0.0
 0000426,-0.00001022,-0.00002299,0.00000426,0.00000190,0.00001061,0.000
 00353,0.00001052,0.00000895,0.00055205,-0.00518401,-0.00127538,0.03194
 713,0.00944756,-0.04233458,-0.00441545,0.00069391,0.00634344,-0.064998
 74,-0.06432737,0.08769853,0.00000003,0.00001095,-0.00000361,0.00008243
 ,-0.00009714,-0.00001120,0.00003010,0.00002573,-0.00001276,-0.00002485
 ,-0.00001265,0.00000824,-0.00001843,-0.00001541,0.00000112,-0.00000840
 ,0.00000835,-0.00000531,-0.00001927,0.00000277,0.00000264,0.00000562,-
 0.00000245,0.00000199,-0.00000153,-0.00000537,-0.00001378,-0.00001018,
 0.00000156,0.00000428,0.00000029,-0.00000406,-0.00001197,0.00000252,-0
 .00000611,-0.00000198,-0.00000929,0.00000386,0.00000336,-0.00023610,0.
 00016344,0.00003683,0.00083966,0.00048368,-0.00100995,0.03634809,0.059
 16232,-0.00005529,-0.00007483,-0.00000399,0.00000046,0.00002227,-0.000
 05436,0.00004290,0.00004797,0.00008751,0.00046263,0.00009964,-0.000410
 09,0.00005940,0.00004757,0.00004549,0.00002998,0.00001223,0.00003146,0
 .00000770,0.00000277,0.00002501,-0.00000476,-0.00000624,-0.00001268,0.
 00000702,-0.00000129,0.00000978,0.00000749,0.00000420,0.00000447,0.001
 14371,-0.00298687,0.00221555,0.01980739,-0.00450983,-0.02231884,-0.004
 85437,0.00686329,0.00055389,0.21111238,0.05018620,-0.30480544,-0.00002
 188,0.00002054,0.00000074,0.00007693,-0.00005187,0.00004973,0.00001351
 ,0.00000176,-0.00002863,-0.00000980,-0.00000388,0.00001319,-0.00001429
 ,-0.00001071,0.00000268,-0.00001239,0.00001248,-0.00000970,-0.00001292
 ,0.00000154,0.00000081,0.00000156,0.00000164,-0.00000329,-0.00000287,-
 0.00000316,-0.00000683,-0.00000372,-0.00000019,0.00000069,-0.00000312,
 -0.00000293,-0.00000653,0.00000193,-0.00000170,-0.00000036,-0.00000320
 ,0.00000169,-0.00000026,-0.00047898,-0.00019039,0.00063613,0.00057839,
 0.00000369,0.00010901,-0.22781717,-0.04920635,0.32408799,-0.00023384,0
 .00000907,0.00001684,0.00001953,0.00014798,-0.00006836,-0.00005155,-0.
 00009152,-0.00002726,0.00062295,-0.00044982,0.00092681,-0.00026764,-0.
 00013397,0.00003055,0.00020825,-0.00004137,0.00004125,-0.00000392,0.00
 000380,-0.00003381,0.00000469,-0.00000315,0.00001759,-0.00002097,0.000
 00066,-0.00001681,-0.00000385,-0.00000187,-0.00000530,-0.00041900,-0.0
 0319244,0.00176946,0.00050417,0.00206552,-0.00068195,-0.00037935,-0.00
 085767,0.00000947,0.00009991,-0.00079387,-0.00005215,0.00002293,-0.000
 01692,-0.00001301,0.00001579,-0.00012667,-0.00053838,-0.00001441,0.000
 07139,-0.00001536,0.00001122,0.00001241,0.00000816,0.00000879,0.000008
 14,0.00000010,0.00000301,-0.00000484,0.00000421,0.00001274,0.00000456,
 -0.00000077,-0.00000048,0.00000210,0.00000256,0.00000249,-0.00000155,0
 .00000905,0.00000843,-0.00000102,-0.00000234,0.00000159,-0.00000258,0.
 00000896,0.00000039,0.00000568,0.00000243,0.00000554,-0.00000357,-0.00
 000159,0.00054477,-0.00068812,-0.00035696,-0.05595489,0.04246688,-0.02
 343396,-0.00005952,0.00007983,0.00007631,0.05623864,-0.00056288,0.0001
 6208,-0.00014722,0.00007612,0.00037617,-0.00025128,-0.00010812,-0.0001
 4232,0.00060869,0.00159184,0.00107423,0.00078156,-0.00063762,-0.000285
 85,0.00011497,0.00043613,0.00000855,0.00020137,-0.00000204,0.00002688,
 -0.00005017,0.00000484,-0.00000568,0.00000720,-0.00001188,-0.00000444,
 -0.00000952,-0.00000176,-0.00000327,-0.00000527,0.00477591,-0.02483634
 ,0.01030156,-0.00158315,-0.00219113,0.00237945,0.00004735,0.00239000,0
 .00007718,0.00019138,0.00071921,-0.00024033,-0.00003669,-0.00000571,0.
 00000630,0.00008177,0.00036062,-0.00050258,0.00005524,0.00014368,-0.00
 010131,0.00000189,-0.00001577,-0.00002213,0.00000645,0.00000411,-0.000
 00301,-0.00001009,-0.00000667,0.00000086,0.00000562,0.00000211,-0.0000
 0026,-0.00000122,0.00000209,-0.00000037,0.00000034,-0.00000032,0.00000
 594,0.00000541,-0.00000017,-0.00000111,0.00000171,-0.00000113,0.000007
 69,0.00000047,0.00000425,0.00000200,0.00000495,-0.00000247,0.00000091,
 -0.00076080,-0.00238043,-0.00400670,0.04215858,-0.24615213,0.10819328,
 0.00008758,-0.00000951,-0.00011211,-0.04584011,0.27040018,-0.00016433,
 0.00007103,-0.00015556,0.00006243,0.00024011,-0.00006892,0.00007446,-0
 .00050756,0.00007361,0.00070560,0.00069850,0.00106615,-0.00035405,-0.0
 0010044,0.00007891,0.00022254,-0.00005182,0.00013855,0.00000256,0.0000
 0923,-0.00003499,-0.00000164,0.00001705,0.00001067,0.00002000,-0.00000
 461,0.00000466,0.00000248,-0.00000751,0.00000044,0.00390298,-0.0206390
 8,0.01040922,0.00048335,-0.00087906,0.00114898,0.00005153,0.00025489,-
 0.00089741,-0.00019190,0.00070909,0.00031321,-0.00000601,-0.00002024,-
 0.00000930,-0.00048876,-0.00013770,-0.00060890,0.00005161,0.00004048,-
 0.00006811,0.00000580,-0.00000094,-0.00000258,0.00000820,-0.00000235,-
 0.00000186,-0.00000281,-0.00000157,0.00000450,0.00000492,-0.00000923,-
 0.00000378,-0.00000452,-0.00000015,-0.00000168,-0.00000737,0.00000800,
 0.00000333,0.00000528,-0.00000172,-0.00000289,-0.00000234,0.00000809,0
 .00000192,-0.00000357,-0.00000498,-0.00000114,0.00000554,0.00000046,-0
 .00000201,-0.00033588,-0.00379231,-0.00288107,-0.02426194,0.11177664,-
 0.10654656,0.00007426,0.00005702,-0.00014498,0.02710334,-0.11724527,0.
 11493698,-0.00001055,-0.00012205,0.00003829,0.00004912,-0.00007440,0.0
 0003934,0.00033392,-0.00039123,0.00012782,0.00032584,-0.00076652,-0.00
 050548,0.00039706,0.00027700,-0.00035261,-0.00017753,0.00012555,-0.000
 05425,-0.00000417,0.00003145,0.00005741,0.00001305,-0.00002939,-0.0000
 5362,0.00001114,0.00000224,0.00002602,0.00000946,0.00001763,0.00001729
 ,-0.00110560,0.00039357,0.00020304,-0.00007728,-0.00077648,0.00074340,
 0.00050860,0.00060676,-0.00007391,0.00015259,0.00004387,-0.00029807,-0
 .00001615,0.00002277,0.00000120,-0.00005086,0.00001474,0.00008399,-0.0
 0001186,-0.00002169,0.00001184,-0.00002637,-0.00000713,0.00001193,-0.0
 0002108,-0.00001245,-0.00000831,-0.00002037,0.00000225,-0.00001609,-0.
 00003345,0.00000597,0.00000610,0.00000289,-0.00000347,-0.00000709,0.00
 000221,-0.00001373,-0.00001518,-0.00001904,0.00000719,0.00000809,0.000
 00284,-0.00000374,-0.00002153,0.00000259,-0.00000623,-0.00000671,-0.00
 001932,0.00000682,0.00000812,0.00024735,-0.00056517,-0.00000572,-0.275
 46785,-0.00524270,-0.08938228,0.00000738,-0.00003846,-0.00006620,-0.00
 505192,0.00009613,-0.00127269,0.29783360,-0.00032519,0.00015088,0.0002
 4667,-0.00002576,0.00003849,-0.00015095,-0.00021880,-0.00011911,0.0002
 0151,0.00115650,-0.00344277,-0.00312608,-0.00067218,0.00015957,-0.0003
 3814,-0.00007121,0.00013725,0.00032890,0.00002357,0.00002855,0.0000185
 1,0.00001769,-0.00003768,-0.00005282,-0.00002349,-0.00000454,0.0000093
 6,-0.00001228,0.00001751,0.00000296,-0.02455094,-0.00167325,-0.0105021
 3,-0.00067715,0.00070313,0.00063657,-0.00001771,0.00016185,-0.00017151
 ,0.00013789,-0.00022398,0.00016800,-0.00004854,0.00001844,-0.00001615,
 0.00010023,0.00002614,-0.00046035,0.00005283,-0.00011657,-0.00009994,-
 0.00007487,-0.00002920,-0.00002189,-0.00002234,-0.00001271,-0.00000972
 ,-0.00002771,0.00000193,-0.00002055,-0.00002694,0.00001345,0.00001334,
 0.00000466,-0.00000155,-0.00000227,0.00000772,-0.00001290,-0.00000861,
 -0.00000996,0.00000905,0.00000555,0.00000909,-0.00000789,-0.00001245,0
 .00000642,0.00000093,-0.00000235,-0.00001277,0.00000219,0.00000905,-0.
 00019010,0.00085075,0.00096584,-0.00402056,-0.04734617,-0.00142512,-0.
 00006344,0.00000983,-0.00001255,0.02670161,0.00186357,0.00932706,0.006
 20538,0.04996234,0.00023441,0.00005451,0.00009900,-0.00005013,-0.00031
 343,0.00007917,-0.00029258,-0.00015970,0.00003368,0.00029347,-0.003599
 39,-0.00161971,-0.00028235,0.00026504,-0.00047958,-0.00047344,0.000100
 40,0.00007866,0.00001635,0.00002953,0.00005974,0.00001296,-0.00003517,
 -0.00005610,-0.00001685,-0.00000302,0.00001544,-0.00001648,0.00001903,
 0.00000502,-0.01871681,0.00028490,-0.00894891,-0.00198426,-0.00106364,
 0.00068320,0.00100208,0.00089442,0.00013156,0.00011171,0.00029975,0.00
 005071,-0.00002071,0.00001263,-0.00003763,0.00003898,0.00005232,0.0001
 5334,0.00006838,-0.00010619,-0.00007035,-0.00009442,0.00000352,0.00002
 078,-0.00001865,-0.00001126,-0.00000238,-0.00002200,0.00000732,-0.0000
 2003,-0.00003126,0.00001168,0.00001430,0.00000832,-0.00000206,-0.00000
 002,0.00000930,-0.00000929,-0.00001675,-0.00001482,0.00000905,0.000006
 93,0.00000667,-0.00001267,-0.00001932,0.00001080,0.00000166,-0.0000007
 7,-0.00001742,0.00000506,0.00000805,0.00041534,0.00020895,0.00082582,-
 0.08737855,-0.00204069,-0.08279086,-0.00004562,-0.00005322,-0.00007417
 ,-0.01404994,-0.00086694,-0.00579175,0.09850218,0.00581596,0.08684529,
 -0.00012061,0.00002244,0.00007466,0.00000207,0.00005096,-0.00001235,0.
 00021339,0.00003018,0.00003704,0.00074209,0.00024579,-0.00092313,0.000
 24739,-0.00010373,0.00013751,0.00002648,0.00005816,0.00004361,0.000001
 56,-0.00002027,-0.00003542,-0.00000040,0.00000996,0.00002266,-0.000005
 40,-0.00000195,-0.00000856,-0.00000391,-0.00000454,-0.00000887,0.00175
 140,0.00067243,-0.00373431,-0.00002021,-0.00152977,-0.00101221,0.00046
 386,0.00054800,0.00013562,0.00030649,0.00013677,-0.00013688,0.00000834
 ,-0.00000368,0.00000722,0.00004269,-0.00004298,-0.00004156,0.00000899,
 0.00001462,-0.00000650,0.00002735,0.00000782,0.00000679,0.00000596,0.0
 0000391,0.00000229,0.00000635,-0.00000091,0.00000485,0.00001340,-0.000
 00219,-0.00000280,-0.00000012,0.00000215,0.00000204,0.00000224,0.00000
 514,0.00000728,0.00000906,-0.00000312,-0.00000288,-0.00000273,0.000000
 96,0.00001043,0.00000069,0.00000335,0.00000400,0.00000998,-0.00000314,
 -0.00000282,-0.00000056,0.00039116,0.00023366,-0.15971787,-0.01863039,
 0.13049926,0.00009076,-0.00009910,-0.00006877,0.00412549,-0.00007335,-
 0.00568903,-0.01778624,-0.00333161,0.02279533,0.16955200,0.00027243,0.
 00012384,-0.00012108,0.00002561,-0.00016193,0.00008224,-0.00030705,-0.
 00008144,0.00010403,0.00107123,0.00092442,0.00071835,0.00008784,0.0001
 7931,0.00017277,-0.00017075,-0.00006540,-0.00008657,-0.00001309,-0.000
 00516,0.00000370,-0.00001210,0.00002118,0.00001153,0.00002367,-0.00000
 164,0.00000100,0.00000526,-0.00001074,-0.00000175,0.01646929,0.0013495
 0,-0.02250765,-0.00328901,-0.00541942,-0.00120770,0.00049500,0.0016013
 1,0.00035000,0.00137962,0.00006422,-0.00144380,-0.00001406,-0.00000243
 ,0.00001413,-0.00004663,0.00006065,0.00000956,0.00002266,-0.00009438,0
 .00001648,-0.00000509,0.00000623,-0.00001189,0.00001113,0.00000275,0.0
 0000215,0.00001048,-0.00000118,0.00000610,0.00000793,-0.00000969,-0.00
 000438,-0.00000640,-0.00000102,-0.00000299,-0.00000910,0.00000950,0.00
 000929,0.00000933,-0.00000266,-0.00000274,-0.00000482,0.00001325,0.000
 00498,-0.00000638,-0.00000608,-0.00000261,0.00000989,-0.00000027,-0.00
 000339,0.00038715,0.00087227,0.00080520,-0.01935069,-0.04970172,0.0239
 0610,0.00041281,-0.00034746,-0.00015459,-0.01932858,-0.00149440,0.0201
 8887,0.00021553,-0.00112755,0.00020096,0.02164691,0.05330614,0.0000624
 8,-0.00001862,-0.00003464,-0.00004818,-0.00008990,0.00001314,-0.000434
 50,0.00054124,-0.00017381,0.00130825,0.00073710,0.00108700,-0.00034566
 ,-0.00009934,0.00023176,-0.00013542,-0.00007273,-0.00006642,-0.0000111
 3,-0.00001506,-0.00000643,0.00000790,0.00000018,0.00000467,-0.00003152
 ,-0.00000348,-0.00001634,-0.00002845,-0.00000326,-0.00001481,0.0123481
 6,0.00242795,-0.01711368,-0.00151937,-0.00273392,-0.00045046,0.0002402
 2,-0.00044749,-0.00006206,0.00108168,-0.00051581,-0.00140014,0.0000012
 5,-0.00000860,-0.00001691,0.00008720,-0.00012121,0.00009624,0.00002521
 ,-0.00003210,-0.00004885,-0.00000626,0.00000082,-0.00001083,0.00000566
 ,0.00000815,0.00000187,0.00000928,-0.00000430,0.00000898,0.00001054,0.
 00000395,0.00000745,0.00000702,-0.00000006,0.00001235,0.00000963,0.000
 00688,-0.00000091,0.00000512,0.00000063,-0.00000109,0.00000601,-0.0000
 0558,0.00000758,0.00000612,0.00000767,0.00000633,0.00000485,-0.0000028
 3,0.00000038,-0.00007148,-0.00007386,0.00085457,0.12807450,0.02223533,
 -0.19727330,0.00014449,-0.00022643,0.00000602,0.00927087,0.00087664,-0
 .01096764,-0.00774631,-0.00131568,0.01081763,-0.14233818,-0.02105629,0
 .21450235\\0.00000118,-0.00000128,0.00000005,0.00000117,-0.00000055,-0
 .00000024,0.00000069,0.00000064,0.00000233,-0.00000606,-0.00000304,-0.
 00000364,0.00000477,-0.00000052,-0.00000178,-0.00000361,0.00000022,-0.
 00000092,0.00000028,0.00000069,-0.00000201,-0.00000242,-0.00000126,0.0
 0000104,0.00000138,0.00000385,0.00000066,-0.00000064,0.00000014,0.0000
 0231,0.00000606,0.00000465,0.00000754,-0.00000025,0.00000167,-0.000003
 20,-0.00000083,-0.00000140,0.00000076,-0.00000022,-0.00000214,-0.00000
 131,-0.00000091,0.00000148,0.00000038,-0.00000064,0.00000012,-0.000000
 02,-0.00000093,0.00000030,-0.00000016,0.00000087,0.00000055,-0.0000001
 7,-0.00000035,0.00000016,-0.00000002,-0.00000033,0.00000098,0.00000191
 ,0.00000021,-0.00000024,-0.00000061,-0.00000074,-0.00000027,0.00000070
 ,0.00000025,-0.00000129,0.00000026,0.00000037,-0.00000034,0.00000051,0
 .00000068,0.00000028,-0.00000067,-0.00000024,-0.00000008,-0.00000008,0
 .00000007,-0.00000008,-0.00000045,-0.00000064,0.00000042,-0.00000068,0
 .00000126,-0.00000421,-0.00000310,-0.00000091,0.00000047,-0.00000005,0
 .00000105,0.00000010,0.00000050,-0.00000042,-0.00000042,0.00000017,-0.
 00000016,0.00000042,-0.00000003\\\@


 I take a simple view of life: keep your eyes open and get on with it.
 -- Laurence Olivier
 Job cpu time:       0 days 15 hours 17 minutes 49.8 seconds.
 Elapsed time:       0 days  1 hours 54 minutes 59.4 seconds.
 File lengths (MBytes):  RWF=    604 Int=      0 D2E=      0 Chk=     24 Scr=      2
 Normal termination of Gaussian 16 at Wed Sep  8 14:24:41 2021.
